NP-MRD: Showing NP-Card for kaempferol 3-glucoside (NP0030630)

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Record Information

Version

2.0

Created at

2021-06-19 21:56:07 UTC

Updated at

2021-08-20 00:00:19 UTC

NP-MRD ID

NP0030630

Secondary Accession Numbers

None

Natural Product Identification

Common Name

kaempferol 3-glucoside

Provided By

JEOL Database JEOL Logo

Description

Astragalin belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Thus, astragalin is considered to be a flavonoid. Astragalin is found, on average, in the highest concentration within a few different foods, such as yellow wax beans (Phaseolus vulgaris), green beans (Phaseolus vulgaris), and common beans (Phaseolus vulgaris) and in a lower concentration in almonds (Prunus dulcis), strawberries (Fragaria X ananassa), and highbush blueberries (Vaccinium corymbosum). Astragalin has also been detected, but not quantified in, several different foods, such as anises (Pimpinella anisum), piki bread, corn salads (Valerianella locusta), sorghums (Sorghum bicolor), and rice (Oryza sativa). This could make astragalin a potential biomarker for the consumption of these foods. Astragalin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. kaempferol 3-glucoside is found in Abies homolepis, Acacia mangium , Acer glabrum, Acer mandshuricum, Acer negundo, Aceraceae negundo, Adhatoda vasica , Adiantum malesianum, Adiantum monochlamys, Adina racemosa, Aesculus chinensis, Tagetes erecta, Aglaia cucullata, Agrimonia pilosa, Ailanthus altissima, Alangium platanifolium, Allium hirtifolium, Allium neapolitanum, Allium triquetrum, Allium ursinum, Allium victorialis, Alsophila spinulosa, Alstonia scholaris, Alstroemeria pulchra, Althaea armeniaca, Althaea officinalis, Amborella trichopoda, Ammi majus, Amsonia ciliata, Anaphalis contorta, Anaphalis lactea, Anaphalis margaritacea, Anaxagorea luzonensis, Anchusa azurea, Pulsatilla cernua , Anemone tomentosa, Anisodus luridus, Anthemis cotula, Anthyllis onobrychioides, Sorbus aria, Aristolochia cucurbitifolia, Aristolochia heterophylla, Aristolochia kaempferi, Arnica acaulis, Arnica amplexicaulis, Arnica angustifolia, Arnica cordifolia, Arnica gracilis, Arnica longifolia, Arnica louiseana, Arnica montana, Artemisia alba, Artemisia annua, Artemisia armeniaca, Artemisia igniaria, Aruncus dioicus, Asanthus solidaginifolius, Asarum canadense, Asplenium filix-foemina, Asplenium viride, Asteriscus graveolens, Astilbe rubra, Astragalus angustifolius, Astragalus asper, Astragalus bornmuellerianus, Astragalus coluteocarpus, Astragalus lagurus, Astragalus robustus, Astragalus saganlugensis, Astragalus sevangensis, Astragalus sieberi, Astragalus wagneri, Azadirachta indica, Baccharis dracunculifolia, Barbacenia rubro-virens, Beaumontia grandiflora, Bellis perennis, Berchemia racemosa, Berlandiera pumila, Betula pendula, Betula pubescens, Bidens frondosa, Bidens pilosa, Brachyglottis cassinioides, Brickellia coulteri, Brickellia diffusa, Brickellia vernicosa, Bryum pseudotriquetrum, Buphthalmum salicifolium, Bursera graveolens, Calluna vulgaris, Calycanthus chinensis, Camellia crassicolumna, Camellia reticulata, Camellia sinensis (L.) O.KUNTZE , Campanula barbata, Campanula glomerata L., Campanula hypopolia, Camptotheca acuminata, Carthamus lanatus, Casimiroa tetrameria, Cassinia laevis, Casuarina equisetifolia L. , Casuarina junghaniana, Casuarina rigida, Centaurea horrida, Centaurea virgata, Centella asiatica, Chimarrhis turbinata, Chromolaena odorata, Chrozophora tinctoria, Chrysanthemum morifolium, Chuquiraga parviflora, Chuquiraga spinosa, Cicer flexuosum, Cicer songaricum, Cichorium glandulosum, Cinnamomum philippinense, Circaea lutetiana, Cistus ladanifer, Cistus laurifolius, Clematis terniflora, Clibadium surinamense, Clitoria ternatea, Consolida oliveriana, Coreopsis auriculata, Pseudofumaria lutea, Crassocephalum crepidioides, Cressa cretica, Crotalaria pallida, Cullen corylifolium, Curio rowleyanus, Cuscuta chinensis, Cuscuta micrantha, Cuscuta platyloba, Cyamopsis tetragonoloba, Cyclamen persicum, Cyclospermum leptophyllum, Dalbergia sissoo, Davallia divaricata, Desmanthodium spp., Detarium microcarpum, Dichrocephala integrifolia, Dicranopteris linearis, Dionaea muscipula, Diospyros cathayensis, Diplazium nipponicum, Doniophyton anomalum, Doronicum grandiflorum, Doronicum macrophyllum, Dracula cordobae, Drosera rotundifolia, Hymenoxys hoopesii, Elaeagnus bockii, Elaeagnus lanceolata, Equisetum sylvaticum, Erigeron annuus, Erigeron breviscapus, Eryngium campestre, Erythroxylum myrsinites, Erythroxylum subracemosum, Erythroxylum ulei, Eskemukerjea megacarpum HARA, Eucommia ulmoides, Eupatorium cannabinum, Euphorbia altotibetica, Euphorbia condylocarpon, Euphorbia hyssopifolia, Euphorbia lanata, Euphorbia maculata, Euphorbia petiolata, Euphorbia prostrata, Euscaphis japonica, Excoecaria cochinchinensis, Excoecaria cochinchinensis var.viridis , Fagonia paulayana, Fallopia dumetorum, Ficaria verna, Ficus pumila, Ficus virens, Filicium decipiens, Fraxinus angustifolia, Fraxinus raibocarpa, Fuchsia fulgens, Fuchsia nigricans, Gamocarpha alpina, Geranium robertianum, Geum aleppicum, Gladiolus italicus, Glycyrrhiza glabra , Glycyrrhiza macedonica, Glycyrrhiza pallidiflora, Glycyrrhiza uralensis, Gossypium hirsutum , Gymnocarpium dryopteris, Gynura divaricata, Gynura procumbens, Halocharis hispida, Hedera helix, Hedera hibernica, Hedyosmum bonplandianum, Helichrysum arenarium, Helichrysum armenium, Helichrysum italicum, Helichrysum stoechas, Heloniopsis orientalis, Diodella teres, Hibiscus cannabinus, Humulus lupulus, Hypericum aucheri, Hypericum erectum Thunb., Hypericum sikokumontanum, Hypericum triquetrifolium, Ia io, Ichnocarpus frutescens, Impatiens balsamina, Belamcanda chinensis , Iris pseudopumila, Isodon oresbius, Juniperus polycarpos, Kalanchoe pinnata, Kummerowia striata, Lactuca tatarica, Manoao colensoi, Lamium album, Larix sibirica, Laserpitium latifolium, Lathyrus davidii, Lathyrus japonicus, Lathyrus nissolia, Lathyrus pratensis, Leonurus cardiaca, Lepidium cartilagineum, Lespedeza bicolor , Lespedeza cuneata G. Don, Lespedeza tomentosa, Lespedeza virgata, Libocedrus bidwillii, Ligustrum obtusifolium, Ligustrum vulgare, Liriodendron chinense, Lonicera japonica, Lotus tenuis, Luetkea pectinata, Lygodium flexuosum, Lysimachia christinae , Lysimachia clethroides, Lysimachia davurica, Lysimachia nummularia , Magnolia salicifolia, Mandevilla martiana, Marah oregana, Marrubium anisodon, Marrubium cylleneum, Matricaria recutita , Mayaca fluviatilis, Meconopsis quintuplinervia, Medicago arborea, Melilotus sulcatus, Melochia corchorifolia , Pronephrium penangianum, Micranthes micranthidifolia, Mikania laevigata, Millettia zechiana, Monochaetun multiflorum, Moringa oleifera , Moringa peregrina , Moringa stenopetala , Morus alba L. , Mosla chinensis, Mukdenia rossii, Myrsine seguinii, Nardostachys jatamansi, Nasturtium officinale, Nigella sativa, Nyctanthes arbor-tristis, Nymphaea guineensis, Nymphaea nouchali, Ochradenus baccatus, Ocotea velloziana, Oenothera brachycarpa, Oenothera canescens, Oenothera glazioviana, Onobrychis bobrovii, Onobrychis iberica, Onobrychis kachetica, Ononis spinosa, Opuntia ficus-indica, Opuntia ficus-indica var.saboten , Orchis militaris, Orostachys japonica, Osbeckia chinensis, Ostericum maximowiczii, Oxytropis myriophylla, Paeonia lactiflora, Panax ginseng C.A.Meyer. , Papaver rhoeas, Parietaria officinalis, Parinari parvifolia, Parnassia grandifolia, Persicaria decipiens, Persicaria hydropiper, Persicaria lapathifolia, Persicaria tinctoria, Phellodendron amurense var.wilsonii , Philadelphus lewisii, Phlomis purpurea, Phlomoides spectabilis, Phyllanthus emblica, Phyllanthus tenellus, Phyllanthus virgatus, Physalis minima, Picea abies, Picea obovata, Pieris brassicae, Pilularia globulifera, Pinalia floribunda, Pinus banksiana, Pinus contorta, Pinus slyvestris, Pinus sylvestris , Platanus hispanica, Podophyllum hexandrum , Podophyllum peltatum , Polygonatum orientale, Polygonum aviculare, Polygonum cognatum, Persicaria nodosa, Polygonum salicifolium , Polygonum tenue, Polypodium virginianum, Potentilla anserina, Potentilla tanacetifolia, Premna flavescens, Primula veris , Prunus padus, Pseudocyclosorus esquirolii, Pteridium esculentum, Pteridium revolutum, Pyrola chlorantha, Pyrrosia lingua , Quercus dentata, Quercus laurifolia, Quercus pontica, Raoulia hookeri, Rhodiola rosea, Ribes viscosissimum, Ricinus communis, Rorippa indica, Rosa agrestis, Rosa damascena, Rosa gallica, Rosa rugosa, Rubus hirsutus, Rubus rigidus, Rubus ulmifolius, Rudbeckia fulgida, Salix caprea, Salvadora persica, Neoshirakia japonica, Sarcodes sanguinea, Sarracenia minor, Saussurea mongolica, Saxifraga stellaris, Scaphium affine, Scolymus hispanicus , Sempervivum ruthenicum, Senna alexandrina, Serenoa repens, Silphium perfoliatum, Sinapis arvensis, Sinoadina racemosa, Smyrnium perfoliatum, Solanum crinitum, Solanum dulcamara, Solanum incanum, Solanum pubescens, Solidago altissima, Sorbaria arborea, Sorbaria sorbifolia , Spermacoce remota, Sphagneticola calendulacea, Stachyurus himalaicus, Sphaerostephanos unitus, Sophora japonica , Symphyotrichum eatonii, Symphyotrichum subulatum, Syringa vulgaris, Tadehagi triquetrum, Tetrapanax papyriferus, Thelypteris palustris, Tilia tomentosa, Trachelospermum jasminoides, Triadica sebifera, Trifolium ambiguum, Trifolium pratense , Trifolium repens L. , Tulipa gesneriana, Tylosema esculentum, Ulmus pumila, Umbellularia californica, Uncaria rhynchophylla , Urtica dioica, Vahlia capensis, Veronica parviflora, Viburnum urceolatum, Vicia monantha, Vitex quinata, Vitis cinerea, Vitis vinifera, Warburgia ugandensis, Wikstroemia canescens, Wikstroemia indica, Wisteria floribunda, Xylocarpus granatum and Zea mays. kaempferol 3-glucoside was first documented in 2011 (PMID: 21329934). Based on a literature review a small amount of articles have been published on Astragalin (PMID: 22210036) (PMID: 22489129) (PMID: 22766709).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI

  Mrv1652306192123563D          

 52 55  0  0  0  0            999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704    0.8216    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    3.7391   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 18 19  2  0  0  0  0
 26 27  2  0  0  0  0
 19 20  1  0  0  0  0
 25 24  1  0  0  0  0
 20 22  2  0  0  0  0
 32  2  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
  2  3  1  0  0  0  0
  3 16  2  0  0  0  0
 16 24  1  0  0  0  0
 25 32  2  0  0  0  0
 16 17  1  0  0  0  0
  2  1  2  0  0  0  0
 29 30  2  0  0  0  0
 27 28  1  0  0  0  0
 30 32  1  0  0  0  0
  5 14  1  0  0  0  0
 14 12  1  0  0  0  0
 12 10  1  0  0  0  0
 10  7  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 30 31  1  0  0  0  0
  9  8  1  0  0  0  0
  3  4  1  0  0  0  0
 27 29  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  1  0  0  0  0
 29 51  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
 31 52  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
  5 33  1  6  0  0  0
 10 38  1  1  0  0  0
 11 39  1  0  0  0  0
 12 40  1  6  0  0  0
 13 41  1  0  0  0  0
 14 42  1  6  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  7 34  1  6  0  0  0
  9 37  1  0  0  0  0
 15 43  1  0  0  0  0
 21 46  1  0  0  0  0
M  END

     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0
 18 19  2  0
 26 27  2  0
 19 20  1  0
 25 24  1  0
 20 22  2  0
 32  2  1  0
 22 23  1  0
 23 17  2  0
  2  3  1  0
  3 16  2  0
 16 24  1  0
 25 32  2  0
 16 17  1  0
  2  1  2  0
 29 30  2  0
 27 28  1  0
 30 32  1  0
  5 14  1  0
 14 12  1  0
 12 10  1  0
 10  7  1  0
  7  6  1  0
  6  5  1  0
 10 11  1  0
 12 13  1  0
 30 31  1  0
  9  8  1  0
  3  4  1  0
 27 29  1  0
 14 15  1  0
 17 18  1  0
 20 21  1  0
  7  8  1  0
  5  4  1  0
 29 51  1  0
 26 49  1  0
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 31 52  1  0
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 15 43  1  0
 21 46  1  0
M  END

  Mrv1652306192123563D          

 52 55  0  0  0  0            999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
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  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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  9  8  1  0  0  0  0
  3  4  1  0  0  0  0
 27 29  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
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  7  8  1  0  0  0  0
  5  4  1  0  0  0  0
 29 51  1  0  0  0  0
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 18 44  1  0  0  0  0
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 22 47  1  0  0  0  0
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  5 33  1  6  0  0  0
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 11 39  1  0  0  0  0
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 13 41  1  0  0  0  0
 14 42  1  6  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  7 34  1  6  0  0  0
  9 37  1  0  0  0  0
 15 43  1  0  0  0  0
 21 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0030630

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C([H])=C2O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1

> <INCHI_KEY>
JPUKWEQWGBDDQB-QSOFNFLRSA-N

> <FORMULA>
C21H20O11

> <MOLECULAR_WEIGHT>
448.3769

> <EXACT_MASS>
448.100561482

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
42.390885682724715

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.15873002566666658

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.869704355311086

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.3723484229657545

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98109237118166

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
107.29459999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.58e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
astragalin

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
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  8 35  1  0
  8 36  1  0
  7 34  1  6
  9 37  1  0
 15 43  1  0
 21 46  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  O   UNK     0       1.624   0.704  -4.467  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.553   0.690  -3.865  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.427   1.264  -2.503  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.545   1.866  -1.962  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.442   0.902  -1.384  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.311   0.982   0.037  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.208   0.100   0.732  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.892   0.205   2.227  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.519  -0.128   2.448  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.660   0.482   0.435  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.573  -0.407   1.079  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.895   0.432  -1.075  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.226   0.894  -1.357  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.871   1.276  -1.833  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.097   1.053  -3.235  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.775   1.218  -1.897  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.007   1.763  -0.546  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.595   0.956   0.439  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.823   1.454   1.724  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.469   2.762   2.028  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.708   3.207   3.293  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.893   3.585   1.067  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.666   3.085  -0.219  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.902   0.621  -2.443  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.822   0.089  -3.705  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.989  -0.473  -4.226  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.965  -1.029  -5.502  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.079  -1.589  -6.052  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.798  -1.032  -6.260  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.637  -0.470  -5.736  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.478  -0.505  -6.528  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.649   0.092  -4.456  0.00  0.00           C+0
HETATM   33  H   UNK     0       2.203  -0.118  -1.717  0.00  0.00           H+0
HETATM   34  H   UNK     0       2.996  -0.930   0.414  0.00  0.00           H+0
HETATM   35  H   UNK     0       3.042   1.226   2.594  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.507  -0.479   2.819  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.005   0.482   1.883  0.00  0.00           H+0
HETATM   38  H   UNK     0       4.875   1.494   0.802  0.00  0.00           H+0
HETATM   39  H   UNK     0       6.448  -0.206   0.688  0.00  0.00           H+0
HETATM   40  H   UNK     0       4.867  -0.608  -1.425  0.00  0.00           H+0
HETATM   41  H   UNK     0       6.258   0.990  -2.332  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.058   2.342  -1.656  0.00  0.00           H+0
HETATM   43  H   UNK     0       3.260   1.238  -3.716  0.00  0.00           H+0
HETATM   44  H   UNK     0      -1.875  -0.073   0.219  0.00  0.00           H+0
HETATM   45  H   UNK     0      -2.270   0.822   2.486  0.00  0.00           H+0
HETATM   46  H   UNK     0      -1.390   4.121   3.370  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.616   4.610   1.294  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.218   3.739  -0.965  0.00  0.00           H+0
HETATM   49  H   UNK     0      -3.898  -0.469  -3.631  0.00  0.00           H+0
HETATM   50  H   UNK     0      -4.820  -1.519  -5.427  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.793  -1.470  -7.255  0.00  0.00           H+0
HETATM   52  H   UNK     0       1.221  -0.080  -6.047  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2   32    3    1                                                  
CONECT    3    2   16    4                                                  
CONECT    4    3    5                                                       
CONECT    5   14    6    4   33                                             
CONECT    6    7    5                                                       
CONECT    7   10    6    8   34                                             
CONECT    8    9    7   35   36                                             
CONECT    9    8   37                                                       
CONECT   10   12    7   11   38                                             
CONECT   11   10   39                                                       
CONECT   12   14   10   13   40                                             
CONECT   13   12   41                                                       
CONECT   14    5   12   15   42                                             
CONECT   15   14   43                                                       
CONECT   16    3   24   17                                                  
CONECT   17   23   16   18                                                  
CONECT   18   19   17   44                                                  
CONECT   19   18   20   45                                                  
CONECT   20   19   22   21                                                  
CONECT   21   20   46                                                       
CONECT   22   20   23   47                                                  
CONECT   23   22   17   48                                                  
CONECT   24   25   16                                                       
CONECT   25   26   24   32                                                  
CONECT   26   25   27   49                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27   50                                                       
CONECT   29   30   27   51                                                  
CONECT   30   29   32   31                                                  
CONECT   31   30   52                                                       
CONECT   32    2   25   30                                                  
CONECT   33    5                                                            
CONECT   34    7                                                            
CONECT   35    8                                                            
CONECT   36    8                                                            
CONECT   37    9                                                            
CONECT   38   10                                                            
CONECT   39   11                                                            
CONECT   40   12                                                            
CONECT   41   13                                                            
CONECT   42   14                                                            
CONECT   43   15                                                            
CONECT   44   18                                                            
CONECT   45   19                                                            
CONECT   46   21                                                            
CONECT   47   22                                                            
CONECT   48   23                                                            
CONECT   49   26                                                            
CONECT   50   28                                                            
CONECT   51   29                                                            
CONECT   52   31                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  110    0
END

RDKit          3D

52 55  0  0  0  0  0  0  0  0999 V2000
    1.6243    0.7044   -4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    0.6899   -3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    1.2639   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    1.8657   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.9023   -1.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3111    0.9823    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.0998    0.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8915    0.2052    2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -0.1280    2.4482 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604    0.4823    0.4348 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5732   -0.4066    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    0.4317   -1.0749 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2262    0.8937   -1.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706    1.2762   -1.8329 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0968    1.0533   -3.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.2175   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068    1.7632   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    0.9556    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.4541    1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687    2.7624    2.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    3.2066    3.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    3.5849    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.0852   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.6208   -2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    0.0893   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9893   -0.4732   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.0293   -5.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -1.5894   -6.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -1.0322   -6.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369   -0.4704   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.5051   -6.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485    0.0923   -4.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030   -0.1182   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.9297    0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    1.2257    2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -0.4787    2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.4819    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4938    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483   -0.2061    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.6082   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585    0.9902   -2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    2.3422   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2385   -3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0725    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704    0.8216    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    4.1212    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160    4.6096    1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    3.7391   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8978   -0.4691   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199   -1.5186   -5.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -1.4702   -7.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.0803   -6.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0
 18 19  2  0
 26 27  2  0
 19 20  1  0
 25 24  1  0
 20 22  2  0
 32  2  1  0
 22 23  1  0
 23 17  2  0
  2  3  1  0
  3 16  2  0
 16 24  1  0
 25 32  2  0
 16 17  1  0
  2  1  2  0
 29 30  2  0
 27 28  1  0
 30 32  1  0
  5 14  1  0
 14 12  1  0
 12 10  1  0
 10  7  1  0
  7  6  1  0
  6  5  1  0
 10 11  1  0
 12 13  1  0
 30 31  1  0
  9  8  1  0
  3  4  1  0
 27 29  1  0
 14 15  1  0
 17 18  1  0
 20 21  1  0
  7  8  1  0
  5  4  1  0
 29 51  1  0
 26 49  1  0
 28 50  1  0
 31 52  1  0
 18 44  1  0
 19 45  1  0
 22 47  1  0
 23 48  1  0
  5 33  1  6
 10 38  1  1
 11 39  1  0
 12 40  1  6
 13 41  1  0
 14 42  1  6
  8 35  1  0
  8 36  1  0
  7 34  1  6
  9 37  1  0
 15 43  1  0
 21 46  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Value	Source
3,4',5,7-Tetrahydroxyflavone-3-glucoside	ChEBI
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside	ChEBI
Astragaline	ChEBI
Kaempferol 3-O-glucoside	ChEBI
Kaempferol-3-O-beta-glucopyranoside	ChEBI
Kaempferol 3-O-beta-D-glucoside	Kegg
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl b-D-glucopyranoside	Generator
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside	Generator
Kaempferol-3-O-b-glucopyranoside	Generator
Kaempferol-3-O-β-glucopyranoside	Generator
Kaempferol 3-O-b-D-glucoside	Generator
Kaempferol 3-O-β-D-glucoside	Generator
3,4',5,7-Tetrahydroxyflavone	HMDB
3-O-b-D-Glucopyranoside	HMDB
3-O-b-D-Glucopyranosyloxy-4',5,7-trihydroxyflavone	HMDB
Asragalin	HMDB
Kaempferol 3-glucoside	HMDB
Kaempferol 3-O-beta-D-glucopyranoside	HMDB
Kaempferol-3-beta-glucopyranoside	HMDB
Kaempferol-3-beta-monoglucoside	HMDB
Kaempferol-3-D-glucoside	HMDB
Kaempferol-3-glucoside	HMDB
Kaempferol-3-O-glucoside	HMDB
Astragalin	ChEBI
3-Glucosylkaempferol	PhytoBank
4',5,7-Trihydroxyflavone 3-beta-D-glucopyranoside	PhytoBank
4',5,7-Trihydroxyflavone 3-β-D-glucopyranoside	PhytoBank
4’,5,7-Trihydroxyflavone 3-β-D-glucopyranoside	PhytoBank
Kaemferol 3-O-glucopyranoside	PhytoBank
Kaempferol 3-O-glucopyranoside	PhytoBank
Kaempferol 3-O-β-D-glucopyranoside	PhytoBank
Kaempferol 3-O-beta-glucoside	PhytoBank
Kaempferol 3-O-β-glucoside	PhytoBank
Kaempferol 3-beta-D-glucopyranoside	PhytoBank
Kaempferol 3-β-D-glucopyranoside	PhytoBank
Kaempferol 3-beta-D-glucoside	PhytoBank
Kaempferol 3-β-D-glucoside	PhytoBank
Kaempherol 3-O-beta-D-glucopyranoside	PhytoBank
Kaempherol 3-O-β-D-glucopyranoside	PhytoBank

Chemical Formula

C₂₁H₂₀O₁₁

Average Mass

448.3769 Da

Monoisotopic Mass

448.10056 Da

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

astragalin

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O1)C([H])=C(O[H])C([H])=C2O[H]

InChI Identifier

InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1

InChI Key

JPUKWEQWGBDDQB-QSOFNFLRSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	FooDB
Abies amabilis	KNApSAcK Database	22123792
Abies homolepis	LOTUS Database	35616633
Acacia mangium	Plant	KNApSAcK
Acer glabrum	LOTUS Database	35616633
Acer mandshuricum	LOTUS Database	35616633
Acer negundo	LOTUS Database	35616633
Aceraceae negundo	-	KNApSAcK
Actinidia chinensis	FooDB	FooDB
Adhatoda vasica	Plant	KNApSAcK
Adiantum malesianum	Plant	KNApSAcK
Adiantum monochlamys	Plant	KNApSAcK
Adina racemosa	Plant	KNApSAcK
Aesculus chinensis	LOTUS Database	35616633
African marigold	LOTUS Database	35616633
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	FooDB
Aglaia cucullata	LOTUS Database	35616633
Agrimonia eupatoria	KNApSAcK Database	22123792
Agrimonia pilosa	LOTUS Database	35616633
Ailanthus altissima	LOTUS Database	35616633
Alangium platanifolium	LOTUS Database	35616633
Alkanna orientalis	KNApSAcK Database	22123792
Allium ampeloprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	FooDB
Allium cepa L.	FooDB	FooDB
Allium fistulosum	FooDB	FooDB
Allium hirtifolium	LOTUS Database	35616633
Allium neapolitanum	LOTUS Database	35616633
Allium porrum L.	KNApSAcK Database	22123792
Allium sativum	FooDB	FooDB
Allium schoenoprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium triquetrum	LOTUS Database	35616633
Allium tuberosum	FooDB	FooDB
Allium ursinum	LOTUS Database	35616633
Allium victorialis	LOTUS Database	35616633
Aloysia triphylla	FooDB	FooDB
Alsophila spinulosa	LOTUS Database	35616633
Alstonia Alstonia scholaris	LOTUS Database	35616633
Alstroemeria pulchra	LOTUS Database	35616633
Althaea armeniaca	LOTUS Database	35616633
Althaea officinalis	LOTUS Database	35616633
Amaranthus	FooDB	FooDB
Amborella trichopoda	LOTUS Database	35616633
Amelanchier alnifolia	FooDB	FooDB
Ammi majus	LOTUS Database	35616633
Ammi majus L.	KNApSAcK Database	22123792
Amsonia ciliata	Plant	KNApSAcK
Anacardium occidentale	FooDB	FooDB
Ananas comosus	FooDB	FooDB
Anaphalis contorta	LOTUS Database	35616633
Anaphalis lactea	LOTUS Database	35616633
Anaphalis margaritacea	LOTUS Database	35616633
Anaxagorea luzonensis	LOTUS Database	35616633
Anchusa azurea	LOTUS Database	35616633
Anemone cernua	Plant	KNApSAcK
Anemone tomentosa	LOTUS Database	35616633
Anethum graveolens	FooDB	FooDB
Angelica furcijuga KITAGAWA	KNApSAcK Database	22123792
Angelica keiskei	FooDB	FooDB
Anisodus luridus	LOTUS Database	35616633
Annona cherimola	FooDB	FooDB
Annona crassiflora	KNApSAcK Database	22123792
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anthemis cotula	LOTUS Database	35616633
Anthriscus cerefolium	FooDB	FooDB
Anthyllis onobrychioides	Plant	KNApSAcK
Apium graveolens	FooDB	FooDB
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	FooDB
Apium graveolens var. secalinum	FooDB	FooDB
Arachis hypogaea	FooDB	FooDB
Arctium lappa	FooDB	FooDB
Aria edulis	LOTUS Database	35616633
Aristolochia cucurbitifolia	LOTUS Database	35616633
Aristolochia heterophylla	LOTUS Database	35616633
Aristolochia kaempferi	LOTUS Database	35616633
Armoracia rusticana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Arnica acaulis	LOTUS Database	35616633
Arnica amplexicaulis	LOTUS Database	35616633
Arnica angustifolia	LOTUS Database	35616633
Arnica cordifolia	LOTUS Database	35616633
Arnica gracilis	LOTUS Database	35616633
Arnica longifolia	LOTUS Database	35616633
Arnica louiseana	LOTUS Database	35616633
Arnica montana	LOTUS Database	35616633
Arnica montana cv.ARBO	KNApSAcK Database	22123792
Artemisia alba	LOTUS Database	35616633
Artemisia annua	LOTUS Database	35616633
Artemisia armeniaca	LOTUS Database	35616633
Artemisia dracunculus	FooDB	FooDB
Artemisia igniaria	LOTUS Database	35616633
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Aruncus dioicus	LOTUS Database	35616633
Asanthus solidaginifolius	LOTUS Database	35616633
Asarum canadense	LOTUS Database	35616633
Ascarina lucida	KNApSAcK Database	22123792
Asparagus officinalis	FooDB	FooDB
Asplenium filix-foemina	Plant	KNApSAcK
Asplenium viride	LOTUS Database	35616633
Asteriscus graveolens	LOTUS Database	35616633
Astilbe rubra	LOTUS Database	35616633
Astragalus angustifolius	LOTUS Database	35616633
Astragalus asper	LOTUS Database	35616633
Astragalus bornmuellerianus	LOTUS Database	35616633
Astragalus coluteocarpus	LOTUS Database	35616633
Astragalus dipelta	KNApSAcK Database	22123792
Astragalus lagurus	LOTUS Database	35616633
Astragalus robustus	LOTUS Database	35616633
Astragalus saganlugensis	LOTUS Database	35616633
Astragalus sevangensis	LOTUS Database	35616633
Astragalus sieberi	LOTUS Database	35616633
Astragalus sp.	KNApSAcK Database	22123792
Astragalus spp.	KNApSAcK Database	22123792
Astragalus wagneri	LOTUS Database	35616633
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	FooDB
Averrhoa carambola	FooDB	FooDB
Azadirachta indica	LOTUS Database	35616633
Baccharis dracunculifolia	LOTUS Database	35616633
Baptisia spp.	KNApSAcK Database	22123792
Barbacenia rubro-virens	Plant	KNApSAcK
Basella alba	FooDB	FooDB
Bauhinia variegata L.	KNApSAcK Database	22123792
Beaumontia grandiflora	LOTUS Database	35616633
Belamcanda chinensis	KNApSAcK Database	22123792
Bellis perennis	LOTUS Database	35616633
Benincasa hispida	FooDB	FooDB
Berchemia racemosa	LOTUS Database	35616633
Berlandiera pumila	LOTUS Database	35616633
Bertholletia excelsa	FooDB	FooDB
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	FooDB
Betula pendula	LOTUS Database	35616633
Betula pubescens	LOTUS Database	35616633
Bidens frondosa	LOTUS Database	35616633
Bidens pilosa	LOTUS Database	35616633
Bocagea sp.nov.	KNApSAcK Database	22123792
Boehmeria holosericea	KNApSAcK Database	22123792
Boehmeria tricuspis	KNApSAcK Database	22123792
Borago officinalis	FooDB	FooDB
Brachyglottis cassinioides	LOTUS Database	35616633
Brassica alboglabra	FooDB	FooDB
Brassica juncea	FooDB	FooDB
Brassica napus	FooDB	FooDB
Brassica napus var. napus	FooDB	FooDB
Brassica oleracea	FooDB	FooDB
Brassica oleracea var. botrytis	FooDB	FooDB
Brassica oleracea var. capitata	FooDB	15826037
Brassica oleracea var. gemmifera	FooDB	FooDB
Brassica oleracea var. gongylodes	FooDB	FooDB
Brassica oleracea var. italica	FooDB	PHENOL EXPLORER
Brassica oleracea var. sabauda	FooDB	FooDB
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	FooDB
Brassica rapa ssp. chinensis	FooDB	FooDB
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	FooDB
Brassica ruvo	FooDB	FooDB
Brickellia coulteri	LOTUS Database	35616633
Brickellia diffusa	LOTUS Database	35616633
Brickellia vernicosa	LOTUS Database	35616633
Brosimum alicastrum	FooDB	FooDB
Bryum pseudotriquetrum	LOTUS Database	35616633
Buphthalmum salicifolium	LOTUS Database	35616633
Bursera graveolens	LOTUS Database	35616633
Byrsonima crassifolia	FooDB	FooDB
Cajanus cajan	FooDB	FooDB
Calluna vulgaris	LOTUS Database	35616633
Calycanthus chinensis	LOTUS Database	35616633
Camellia crassicolumna	LOTUS Database	35616633
Camellia reticulata	LOTUS Database	35616633
Camellia sinensis	KNApSAcK Database	22123792
Camellia sinensis (L.) O.KUNTZE	Plant	KNApSAcK
Campanula barbata	LOTUS Database	35616633
Campanula glomerata L.	Plant	KNApSAcK
Campanula hypopolia	LOTUS Database	35616633
Camptotheca acuminata	Plant	KNApSAcK
Canarium ovatum	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	FooDB
Capparis spinosa	FooDB	FooDB
Capsicum annuum	FooDB	FooDB
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Cardiopetalum calophyllum	KNApSAcK Database	22123792
Carica papaya L.	FooDB	FooDB
Carissa macrocarpa	FooDB	FooDB
Carthamus lanatus	LOTUS Database	35616633
Carthamus tinctorius	KNApSAcK Database	22123792
Carum carvi	KNApSAcK Database	22123792
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	FooDB
Casimiroa tetrameria	LOTUS Database	35616633
Cassinia laevis	LOTUS Database	35616633
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Casuarina equisetifolia L.	Plant	KNApSAcK
Casuarina junghaniana	Plant	KNApSAcK
Casuarina rigida	Plant	KNApSAcK
Centaurea horrida	LOTUS Database	35616633
Centaurea virgata	LOTUS Database	35616633
Centella asiatica	LOTUS Database	35616633
Ceratonia siliqua	FooDB	FooDB
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	FooDB
Chimarrhis turbinata	LOTUS Database	35616633
Chromolaena odorata	LOTUS Database	35616633
Chrozophora tinctoria	LOTUS Database	35616633
Chrysanthemum coronarium	FooDB	FooDB
Chrysanthemum morifolium	LOTUS Database	35616633
Chuquiraga parviflora	LOTUS Database	35616633
Chuquiraga spinosa	LOTUS Database	35616633
Cicer arietinum	FooDB	FooDB
Cicer flexuosum	LOTUS Database	35616633
Cicer songaricum	LOTUS Database	35616633
Cichorium endivia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cichorium glandulosum	LOTUS Database	35616633
Cichorium intybus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cinnamomum	FooDB	FooDB
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum philippinense	LOTUS Database	35616633
Cinnamomum verum	FooDB	FooDB
Circaea lutetiana	LOTUS Database	35616633
Cirsium	FooDB	FooDB
Cistus ladanifer	LOTUS Database	35616633
Cistus laurifolius	LOTUS Database	35616633
Citrullus lanatus	FooDB	FooDB
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	FooDB
Citrus aurantiifolia	FooDB	FooDB
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	FooDB
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	FooDB
Citrus reticulata	FooDB	FooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	FooDB
Clematis terniflora	LOTUS Database	35616633
Clibadium spp.	KNApSAcK Database	22123792
Clibadium surinamense	LOTUS Database	35616633
Clitoria ternata	KNApSAcK Database	22123792
Clitoria ternatea	JEOL database	Kazuma, K., et al, Phytochemistry 62, 229 (2003)
Cocos nucifera	FooDB	FooDB
Coffea arabica L.	FooDB	FooDB
Coffea canephora	FooDB	FooDB
Colocasia esculenta	FooDB	FooDB
Consolida oliveriana	Plant	KNApSAcK
Conyza filaginoides	KNApSAcK Database	22123792
Corchorus olitorius	FooDB	FooDB
Coreopsis auriculata	LOTUS Database	35616633
Coriandrum sativum L.	FooDB	FooDB
Cornus kousa	KNApSAcK Database	22123792
Corydalis lutea	LOTUS Database	35616633
Corylus	FooDB	FooDB
Corylus avellana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Crassocephalum crepidioides	LOTUS Database	35616633
Crateva religiosa	FooDB	FooDB
Cressa cretica	LOTUS Database	35616633
Crocus antalyensis	KNApSAcK Database	22123792
Crocus sativus	KNApSAcK Database	22123792
Crotalaria pallida	LOTUS Database	35616633
Cucumis melo	FooDB	FooDB
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	FooDB
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	FooDB
Cucurbita moschata	FooDB	FooDB
Cullen corylifolium	LOTUS Database	35616633
Cuminum cyminum	FooDB	FooDB
Curcuma longa	FooDB	FooDB
Curcuma mangga	KNApSAcK Database	22123792
Curio rowleyanus	LOTUS Database	35616633
Cuscuta chinensis	LOTUS Database	35616633
Cuscuta micrantha	LOTUS Database	35616633
Cuscuta platyloba	LOTUS Database	35616633
Cyamopsis tetragonoloba	LOTUS Database	35616633
Cyclamen persicum	LOTUS Database	35616633
Cyclospermum leptophyllum	LOTUS Database	35616633
Cydonia oblonga	FooDB	PHENOL EXPLORER
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	FooDB
Dalbergia sissoo	LOTUS Database	35616633
Daucus carota	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Daucus carota ssp. sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Davallia divaricata	LOTUS Database	35616633
Desmanthodium spp.	Plant	KNApSAcK
Detarium microcarpum	LOTUS Database	35616633
Dichrocephala integrifolia	LOTUS Database	35616633
Dicranopteris linearis	LOTUS Database	35616633
Dimocarpus longan	FooDB	FooDB
Dionaea muscipula	LOTUS Database	35616633
Dioscorea	FooDB	FooDB
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros cathayensis	LOTUS Database	35616633
Diospyros kaki	KNApSAcK Database	22123792
Diospyros virginiana	FooDB	FooDB
Diplazium nipponicum	LOTUS Database	35616633
Doniophyton anomalum	LOTUS Database	35616633
Doronicum grandiflorum	LOTUS Database	35616633
Doronicum macrophyllum	LOTUS Database	35616633
Dracula cordobae	LOTUS Database	35616633
Drosera rotundifolia	LOTUS Database	35616633
Dugaldia hoopesii	LOTUS Database	35616633
Duguetia chrysocarpa	KNApSAcK Database	22123792
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Edgeworthia chrysantha	KNApSAcK Database	22123792
Elaeagnus bockii	LOTUS Database	35616633
Elaeagnus lanceolata	LOTUS Database	35616633
Elaeis	FooDB	FooDB
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Equisetum sylvaticum	LOTUS Database	35616633
Eragrostis tef	FooDB	FooDB
Erigeron annuus	LOTUS Database	35616633
Erigeron breviscapus	LOTUS Database	35616633
Eriobotrya japonica	FooDB	FooDB
Eruca vesicaria subsp. Sativa	FooDB	FooDB
Eryngium campestre	LOTUS Database	35616633
Erythroxylum myrsinites	LOTUS Database	35616633
Erythroxylum subracemosum	LOTUS Database	35616633
Erythroxylum ulei	LOTUS Database	35616633
Eskemukerjea megacarpum HARA	Plant	KNApSAcK
Eucommia ulmoides	LOTUS Database	35616633
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Eupatorium cannabinum	LOTUS Database	35616633
Euphorbia altotibetica	LOTUS Database	35616633
Euphorbia chamaesyce	KNApSAcK Database	22123792
Euphorbia condylocarpon	Plant	KNApSAcK
Euphorbia hyssopifolia	LOTUS Database	35616633
Euphorbia lanata	Plant	KNApSAcK
Euphorbia larica	KNApSAcK Database	22123792
Euphorbia maculata	LOTUS Database	35616633
Euphorbia magalanta	KNApSAcK Database	22123792
Euphorbia petiolata	LOTUS Database	35616633
Euphorbia prostrata	LOTUS Database	35616633
Euphorbia virgata	KNApSAcK Database	22123792
Euscaphis japonica	LOTUS Database	35616633
Eutrema japonicum	FooDB	FooDB
Evolvulus alsinoides	KNApSAcK Database	22123792
Excoecaria cochinchinensis	LOTUS Database	35616633
Excoecaria cochinchinensis var.viridis	Plant	KNApSAcK
Fagonia paulayana	LOTUS Database	35616633
Fagopyrum esculentum	FooDB	FooDB
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Fallopia dumetorum	LOTUS Database	35616633
Feijoa sellowiana	FooDB	FooDB
Ficaria verna	LOTUS Database	35616633
Ficus carica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ficus pumila	LOTUS Database	35616633
Ficus virens	LOTUS Database	35616633
Filicium decipiens	LOTUS Database	35616633
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	FooDB
Fragaria x ananassa	FooDB	PHENOL EXPLORER
Fraxinus angustifolia	LOTUS Database	35616633
Fraxinus oxycarba	KNApSAcK Database	22123792
Fraxinus raibocarpa	LOTUS Database	35616633
Fuchsia fulgens	LOTUS Database	35616633
Fuchsia nigricans	LOTUS Database	35616633
Gamocarpha alpina	LOTUS Database	35616633
Garcinia mangostana	FooDB	FooDB
Gaylussacia baccata	FooDB	FooDB
Geranium robertianum	LOTUS Database	35616633
Gerbera jamesonii	KNApSAcK Database	22123792
Geum aleppicum	LOTUS Database	35616633
Ginkgo biloba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gladiolus italicus	LOTUS Database	35616633
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Glycyrrhiza glabra	Plant	KNApSAcK
Glycyrrhiza macedonica	LOTUS Database	35616633
Glycyrrhiza pallidiflora	LOTUS Database	35616633
Glycyrrhiza uralensis	LOTUS Database	35616633
Gossypium	FooDB	FooDB
Gossypium barbadense	KNApSAcK Database	22123792
Gossypium hirsutum	Plant	KNApSAcK
Grifola frondosa	FooDB	FooDB
Guatteria rupestris	KNApSAcK Database	22123792
Guatteria villosissima	KNApSAcK Database	22123792
Gutierrezia wrightii	KNApSAcK Database	22123792
Gymnocarpium dryopteris	LOTUS Database	35616633
Gynura divaricata	LOTUS Database	35616633
Gynura procumbens	LOTUS Database	35616633
Halocharis hispida	LOTUS Database	35616633
Haplopappus foliosus	KNApSAcK Database	22123792
Haplophyllum glabrinum	KNApSAcK Database	22123792
Hebe parviflora	KNApSAcK Database	22123792
Hedera helix	LOTUS Database	35616633
Hedera hibernica	LOTUS Database	35616633
Hedyosmum bonplandianum	LOTUS Database	35616633
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	FooDB
Helianthus tuberosus	FooDB	FooDB
Helichrysum arenarium	LOTUS Database	35616633
Helichrysum armenium	LOTUS Database	35616633
Helichrysum graveolen	KNApSAcK Database	22123792
Helichrysum italicum	LOTUS Database	35616633
Helichrysum stoechas	LOTUS Database	35616633
Helicteres angustifolia	KNApSAcK Database	22123792
Helonias orientalis	LOTUS Database	35616633
Hexasepalum teres	LOTUS Database	35616633
Hibiscus cannabinus	LOTUS Database	35616633
Hibiscus sabbariffa	FooDB	FooDB
Hippophae rhamnoides	FooDB	FooDB
Hirschfeldia incana	KNApSAcK Database	22123792
Hordeum vulgare	FooDB	FooDB
Humulus lupulus	LOTUS Database	35616633
Hypericum aucheri	LOTUS Database	35616633
Hypericum erectum	Plant	KNApSAcK
Hypericum erectum Thunb.	KNApSAcK Database	22123792
Hypericum sampsonii	KNApSAcK Database	22123792
Hypericum sikokumontanum	LOTUS Database	35616633
Hypericum triquetrifolium	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	FooDB
Ia io	LOTUS Database	35616633
Ichnocarpus frutescens	LOTUS Database	35616633
Illicium verum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Impatiens balsamina	LOTUS Database	35616633
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	FooDB
Iris domestica	Plant	KNApSAcK
Iris pseudopumila	LOTUS Database	35616633
Isodon oresbius	LOTUS Database	35616633
Juglans	FooDB	FooDB
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	FooDB
Juglans regia	FooDB	FooDB
Juniperus macropoda	KNApSAcK Database	22123792
Juniperus polycarpos	LOTUS Database	35616633
Kalanchoe pinnata	LOTUS Database	35616633
Kummerowia striata	LOTUS Database	35616633
Lablab purpureus	FooDB	FooDB
Lactuca sativa	FooDB	PHENOL EXPLORER
Lactuca tatarica	LOTUS Database	35616633
Lagarostrobos colensoi	LOTUS Database	35616633
Lagenaria siceraria	FooDB	FooDB
Lamium album	LOTUS Database	35616633
Larix decidua	KNApSAcK Database	22123792
Larix sibirica	LOTUS Database	35616633
Laserpitium latifolium	LOTUS Database	35616633
Lathyrus davidii	LOTUS Database	35616633
Lathyrus japonicus	LOTUS Database	35616633
Lathyrus nissolia	LOTUS Database	35616633
Lathyrus pratensis	LOTUS Database	35616633
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lens culinaris	FooDB	FooDB
Lentinus edodes	FooDB	FooDB
Leonurus cardiaca	LOTUS Database	35616633
Leonurus persicus	KNApSAcK Database	22123792
Lepidium cartilagineum	LOTUS Database	35616633
Lepidium sativum	FooDB	FooDB
Leptarrhena pyrolifolia	KNApSAcK Database	22123792
Lespedeza bicolor	Plant	KNApSAcK
Lespedeza cuneata G. Don	Plant	KNApSAcK
Lespedeza tomentosa	Plant	KNApSAcK
Lespedeza virgata	LOTUS Database	35616633
Levisticum officinale	FooDB	FooDB
Libocedrus bidwillii	LOTUS Database	35616633
Ligustrum obtusifolium	LOTUS Database	35616633
Ligustrum vulgare	LOTUS Database	35616633
Linum usitatissimum	FooDB	FooDB
Liquidambar formosana	KNApSAcK Database	22123792
Liriodendron chinense	LOTUS Database	35616633
Litchi chinensis	FooDB	FooDB
Lonicera japonica	LOTUS Database	35616633
Lotus corniculatus	KNApSAcK Database	22123792
Lotus glaber	LOTUS Database	35616633
Lotus japonicus	KNApSAcK Database	22123792
Luetkea pectinata	LOTUS Database	35616633
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	KNAPSACK
Lupinus albus L.	KNApSAcK Database	22123792
Lygodium flexuosum	LOTUS Database	35616633
Lysimachia christinae	Plant	KNApSAcK
Lysimachia clethroides	LOTUS Database	35616633
Lysimachia davurica	LOTUS Database	35616633
Lysimachia nummularia	Plant	KNApSAcK
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Magnolia salicifolia	LOTUS Database	35616633
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	FooDB
Mammea americana	FooDB	FooDB
Mandevilla martiana	LOTUS Database	35616633
Mangifera indica	FooDB	FooDB
Manihot esculenta	FooDB	FooDB
Manilkara zapota	FooDB	FooDB
Marah oregana	LOTUS Database	35616633
Marah oreganus	KNApSAcK Database	22123792
Maranta arundinacea	FooDB	FooDB
Marrubium anisodon	LOTUS Database	35616633
Marrubium cylleneum	LOTUS Database	35616633
Matricaria chamomilla	KNApSAcK Database	22123792
Matricaria recutita	Plant	KNApSAcK
Matteuccia struthiopteris	FooDB	FooDB
Mayaca fluviatilis	LOTUS Database	35616633
Meconopsis quintuplinervia	LOTUS Database	35616633
Medicago arborea	LOTUS Database	35616633
Medicago sativa	FooDB	FooDB
Melilotus sulcatus	LOTUS Database	35616633
Melissa officinalis L.	FooDB	FooDB
Melochia corchorifolia	Plant	KNApSAcK
Menisciopsis penangiana	LOTUS Database	35616633
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	FooDB
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Micranthes micranthidifolia	LOTUS Database	35616633
Mikania laevigata	LOTUS Database	35616633
Millettia zechiana	LOTUS Database	35616633
Momordica charantia	FooDB	FooDB
Monochaetun multiflorum	-	KNApSAcK
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Moringa oleifera	Plant	KNApSAcK
Moringa peregrina	Plant	KNApSAcK
Moringa stenopetala	Plant	KNApSAcK
Morus	FooDB	FooDB
Morus alba	Plant	KNApSAcK
Morus alba L.	KNApSAcK Database	22123792
Morus insignis	KNApSAcK Database	22123792
Morus nigra	FooDB	FooDB
Mosla chinensis	LOTUS Database	35616633
Mukdenia rossii	LOTUS Database	35616633
Musa acuminata	FooDB	FooDB
Musa x paradisiaca	FooDB	FooDB
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	FooDB
Myrsine seguinii	LOTUS Database	35616633
Nardostachys jatamansi	LOTUS Database	35616633
Nasturtium officinale	LOTUS Database	35616633
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	FooDB
Nephelium lappaceum	FooDB	FooDB
Nigella sativa	LOTUS Database	35616633
Nuphar lutea	FooDB	FooDB
Nyctanthes arbor-tristis	LOTUS Database	35616633
Nyctanthes arbortristis	KNApSAcK Database	22123792
Nymphaea caerulea	KNApSAcK Database	22123792
Nymphaea guineensis	LOTUS Database	35616633
Nymphaea nouchali	LOTUS Database	35616633
Nymphaea stellata	KNApSAcK Database	22123792
Ochna beddomei	KNApSAcK Database	22123792
Ochna obtusata	KNApSAcK Database	22123792
Ochradenus baccatus	LOTUS Database	35616633
Ocimum basilicum	FooDB	FooDB
Ocotea velloziana	LOTUS Database	35616633
Oenothera biennis	FooDB	FooDB
Oenothera brachycarpa	LOTUS Database	35616633
Oenothera canescens	LOTUS Database	35616633
Oenothera glazioviana	LOTUS Database	35616633
Olea europaea	FooDB	FooDB
Onobrychis amoena	KNApSAcK Database	22123792
Onobrychis bobrovi	KNApSAcK Database	22123792
Onobrychis bobrovii	LOTUS Database	35616633
Onobrychis chlorassanica	KNApSAcK Database	22123792
Onobrychis echidna	KNApSAcK Database	22123792
Onobrychis ferganica	KNApSAcK Database	22123792
Onobrychis grandis	KNApSAcK Database	22123792
Onobrychis iberica	Plant	KNApSAcK
Onobrychis kachetica	LOTUS Database	35616633
Onobrychis seravschanica	KNApSAcK Database	22123792
Ononis leiosperma	KNApSAcK Database	22123792
Ononis spinosa	LOTUS Database	35616633
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	FooDB
Opuntia ficus-indica	LOTUS Database	35616633
Opuntia ficus-indica var.saboten	Plant	KNApSAcK
Opuntia macrorhiza	FooDB	FooDB
Orchis militaris	LOTUS Database	35616633
Origanum majorana	FooDB	FooDB
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	FooDB
Origanum X majoricum	FooDB	FooDB
Orostachys japonica	LOTUS Database	35616633
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	FooDB
Osbeckia chinensis	LOTUS Database	35616633
Ostericum maximowiczii	LOTUS Database	35616633
Oxytropis myriophylla	LOTUS Database	35616633
Pachyrhizus erosus	FooDB	FooDB
Paeonia lactiflora	LOTUS Database	35616633
Panax ginseng	FooDB	FooDB
Panax ginseng C.A.Meyer.	Plant	KNApSAcK
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	FooDB
Papaver rhoeas	LOTUS Database	35616633
Parietaria officinalis	LOTUS Database	35616633
Parinari parvifolia	LOTUS Database	35616633
Parnassia grandifolia	LOTUS Database	35616633
Passiflora edulis	FooDB	FooDB
Pastinaca sativa	FooDB	FooDB
Pediomelum esculentum	FooDB	FooDB
Pelargonium reniforme	KNApSAcK Database	22123792
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	FooDB
Persicaria decipiens	LOTUS Database	35616633
Persicaria hydropiper	LOTUS Database	35616633
Persicaria lapathifolia	LOTUS Database	35616633
Persicaria tinctoria	LOTUS Database	35616633
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	FooDB
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	PHENOL EXPLORER
Phegopteris connectilis	KNApSAcK Database	22123792
Phellodendron amurense	KNApSAcK Database	22123792
Phellodendron amurense var.wilsonii	Plant	KNApSAcK
Philadelphus lewisii	LOTUS Database	35616633
Phlomis caucasica	KNApSAcK Database	22123792
Phlomis purpurea	LOTUS Database	35616633
Phlomis spectabilis	KNApSAcK Database	22123792
Phlomis spinidens	KNApSAcK Database	22123792
Phlomoides spectabilis	LOTUS Database	35616633
Phoenix dactylifera	FooDB	FooDB
Photinia melanocarpa	FooDB	PHENOL EXPLORER
Phyllanthus emblica	LOTUS Database	35616633
Phyllanthus niruri	KNApSAcK Database	22123792
Phyllanthus tenellus	LOTUS Database	35616633
Phyllanthus virgatus	LOTUS Database	35616633
Phyllostachys edulis	FooDB	FooDB
Physalis	FooDB	FooDB
Physalis minima	LOTUS Database	35616633
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Picea abies	LOTUS Database	35616633
Picea obovata	LOTUS Database	35616633
Pieris brassicae	LOTUS Database	35616633
Pilularia globulifera	LOTUS Database	35616633
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinalia floribunda	LOTUS Database	35616633
Pinus	FooDB	FooDB
Pinus banksiana	LOTUS Database	35616633
Pinus contorta	LOTUS Database	35616633
Pinus edulis	FooDB	FooDB
Pinus slyvestris	Plant	KNApSAcK
Pinus sylvestris	Plant	KNApSAcK
Piper nigrum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pistacia vera	FooDB	FooDB
Pisum sativum	FooDB	FooDB
Platanus x hispanica	LOTUS Database	35616633
Pleurotus ostreatus	FooDB	FooDB
Podocarpus fasciculus	KNApSAcK Database	22123792
Podocarpus nivalis	KNApSAcK Database	22123792
Podophyllum hexandrum	Plant	KNApSAcK
Podophyllum peltatum	Plant	KNApSAcK
Polygonatum orientale	LOTUS Database	35616633
Polygonum alpinum	FooDB	FooDB
Polygonum aviculare	LOTUS Database	35616633
Polygonum cognatum	LOTUS Database	35616633
Polygonum nodosum	LOTUS Database	35616633
Polygonum salicifolium	Plant	KNApSAcK
Polygonum tenue	LOTUS Database	35616633
Polypodium virginianum	LOTUS Database	35616633
Portulaca oleracea	FooDB	FooDB
Potentilla anserina	LOTUS Database	35616633
Potentilla tanacetifolia	LOTUS Database	35616633
Pouteria sapota	FooDB	FooDB
Premna flavescens	LOTUS Database	35616633
Primula veris	Plant	KNApSAcK
Prunus armeniaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	FooDB
Prunus dulcis	FooDB	PHENOL EXPLORER
Prunus padus	LOTUS Database	35616633
Prunus persica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus persica var. nucipersica	FooDB	FooDB
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Pseudocyclosorus esquirolii	LOTUS Database	35616633
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	FooDB
Psophocarpus tetragonolobus	FooDB	FooDB
Pteridium aquilinum	KNApSAcK Database	22123792
Pteridium esculentum	LOTUS Database	35616633
Pteridium revolutum	LOTUS Database	35616633
Pulsatilla cernua	KNApSAcK Database	22123792
Punica granatum	KNApSAcK Database	22123792
Pyrola chlorantha	LOTUS Database	35616633
Pyrola spp.	KNApSAcK Database	22123792
Pyrrosia lingua	Plant	KNApSAcK
Pyrus communis	FooDB	18778075
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Quercus dentata	LOTUS Database	35616633
Quercus laurifolia	LOTUS Database	35616633
Quercus pontica	LOTUS Database	35616633
Raoulia hookeri	LOTUS Database	35616633
Raphanus sativus	FooDB	FooDB
Raphanus sativus var. longipinnatus	FooDB	FooDB
Raphanus sativus var. sativus	FooDB	FooDB
Rheum rhabarbarum	FooDB	FooDB
Rhodiola rosea	LOTUS Database	35616633
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ribes rubrum	FooDB	PHENOL EXPLORER
Ribes uva-crispa	FooDB	FooDB
Ribes viscosissimum	LOTUS Database	35616633
Ricinus communis	LOTUS Database	35616633
Rollinia dolabripetala	KNApSAcK Database	22123792
Rorippa indica	LOTUS Database	35616633
Rosa	FooDB	FooDB
Rosa agrestis	LOTUS Database	35616633
Rosa damascena	LOTUS Database	35616633
Rosa gallica	LOTUS Database	35616633
Rosa rugosa	LOTUS Database	35616633
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus hirsutus	Plant	KNApSAcK
Rubus idaeus	FooDB	PHENOL EXPLORER
Rubus occidentalis	FooDB	FooDB
Rubus rigidus	LOTUS Database	35616633
Rubus spectabilis	FooDB	FooDB
Rubus ulmifolius	LOTUS Database	35616633
Rudbeckia fulgida	LOTUS Database	35616633
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Sagittaria latifolia	FooDB	FooDB
Saintpaulia ionatha	KNApSAcK Database	22123792
Salix caprea	LOTUS Database	35616633
Salix pulchra	FooDB	FooDB
Salvadora persica	LOTUS Database	35616633
Salvia cavaleriei	KNApSAcK Database	22123792
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	FooDB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sambucus nigra L.	FooDB	FooDB
Sapium haematospermum	KNApSAcK Database	22123792
Sapium japonicum	LOTUS Database	35616633
Sarcodes sanguinea	LOTUS Database	35616633
Sarracenia minor	LOTUS Database	35616633
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Saussurea mongolica	LOTUS Database	35616633
Saxifraga stellaris	Plant	KNApSAcK
Scaphium affine	LOTUS Database	35616633
Scolymus hispanicus	Plant	KNApSAcK
Scorzonera hispanica	FooDB	FooDB
Secale cereale	FooDB	FooDB
Sechium edule	FooDB	FooDB
Sempervivum ruthenicum	LOTUS Database	35616633
Senna alexandrina	LOTUS Database	35616633
Serenoa repens	LOTUS Database	35616633
Sesamum indicum	FooDB	FooDB
Sesbania bispinosa	FooDB	FooDB
Silphium perfoliatum	LOTUS Database	35616633
Silphium perfoliatum L.	KNApSAcK Database	22123792
Sinapis alba	FooDB	FooDB
Sinapis arvensis	LOTUS Database	35616633
Sinoadina racemosa	Plant	KNApSAcK
Sinocrassula indica	KNApSAcK Database	22123792
Sisymbrium	FooDB	FooDB
Smyrnium perfoliatum	LOTUS Database	35616633
Solanum crinitum	LOTUS Database	35616633
Solanum dulcamara	LOTUS Database	35616633
Solanum elaeagnifolium	KNApSAcK Database	22123792
Solanum incanum	LOTUS Database	35616633
Solanum lycopersicum	FooDB	FooDB
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	FooDB
Solanum melongena	FooDB	FooDB
Solanum pubescens	LOTUS Database	35616633
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	FooDB	FooDB
Solenostemma argel	KNApSAcK Database	22123792
Solidago altissima	KNApSAcK Database	22123792
Solidago canadensis var. scabra	Plant	KNApSAcK
Sophora japonica	KNApSAcK Database	22123792
Sorbaria arborea	Plant	KNApSAcK
Sorbaria sorbifolia	Plant	KNApSAcK
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spermacoce laevis Roxb.	KNApSAcK Database	22123792
Spermacoce remota	LOTUS Database	35616633
Sphagneticola calendulacea	LOTUS Database	35616633
Spinacia oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Spiraea formosana	KNApSAcK Database	22123792
Stachyurus himalaicus	LOTUS Database	35616633
Stenochlaena palustris	KNApSAcK Database	22123792
Strophocaulon unitum	LOTUS Database	35616633
Strychnos spinosa	KNApSAcK Database	22123792
Styphnolobium japonicum	Plant	KNApSAcK
Symphyotrichum eatonii	LOTUS Database	35616633
Symphyotrichum subulatum	LOTUS Database	35616633
Syringa vulgaris	LOTUS Database	35616633
Syzygium aromaticum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tadehagi triquetrum	LOTUS Database	35616633
Tamarindus indica	FooDB	FooDB
Taraxacum officinale	FooDB	FooDB
Tephrosia calophylla	KNApSAcK Database	22123792
Tetragonia tetragonioides	FooDB	FooDB
Tetrapanax papyrifer	Plant	KNApSAcK
Tetrapanax papyriferus	KNApSAcK Database	22123792
Thelesperma	FooDB	FooDB
Thelypteris nipponica	KNApSAcK Database	22123792
Thelypteris palustris	LOTUS Database	35616633
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	FooDB
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tilia tomentosa	LOTUS Database	35616633
Trachelospermum jasminoides	LOTUS Database	35616633
Tragopogon porrifolius	FooDB	FooDB
Triadica sebifera	LOTUS Database	35616633
Tribulus alatus Del.	KNApSAcK Database	22123792
Trifolium ambiguum	LOTUS Database	35616633
Trifolium pratense	Plant	KNApSAcK
Trifolium repens	Plant	KNApSAcK
Trigonella foenum-graecum	FooDB	FooDB
Triticum	FooDB	FooDB
Triticum aestivum	FooDB	FooDB
Triticum durum	FooDB	FooDB
Triticum spelta	FooDB	FooDB
Triticum turanicum	FooDB	FooDB
Tulipa gesneriana	LOTUS Database	35616633
Tylosema esculentum	LOTUS Database	35616633
Typha angustifolia	FooDB	FooDB
Ulmus pumila	LOTUS Database	35616633
Umbellularia californica	LOTUS Database	35616633
Uncaria rhynchophylla	Plant	KNApSAcK
Urtica dioica	LOTUS Database	35616633
Vaccinium	FooDB	FooDB
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	PHENOL EXPLORER
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	PHENOL EXPLORER
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium ovalifolium	FooDB	FooDB
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	PHENOL EXPLORER
Vahlia capensis	LOTUS Database	35616633
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Verbena officinalis	FooDB	FooDB
Veronica parviflora	LOTUS Database	35616633
Viburnum edule	FooDB	FooDB
Viburnum urceolatum	LOTUS Database	35616633
Vicia faba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vicia monantha	LOTUS Database	35616633
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	FooDB
Vigna radiata	FooDB	FooDB
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	FooDB
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Vitex quinata	LOTUS Database	35616633
Vitis	FooDB	FooDB
Vitis aestivalis	FooDB	FooDB
Vitis cinerea	LOTUS Database	35616633
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera	LOTUS Database	35616633
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Warburgia ugandensis	LOTUS Database	35616633
Wikstroemia canescens	LOTUS Database	35616633
Wikstroemia indica	LOTUS Database	35616633
Wisteria floribunda	LOTUS Database	35616633
Xanthosoma sagittifolium	FooDB	FooDB
Xylocarpus granatum	LOTUS Database	35616633
Xylopia aromatica	KNApSAcK Database	22123792
Zea mays	LOTUS Database	35616633
Zea mays L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zingiber officinale	FooDB	FooDB
Zinnia elegans	KNApSAcK Database	22123792
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	296.00 to 297.00 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	1.87 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	4.397 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	0.52	ALOGPS
logP	0.16	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	107.29 m³·mol⁻¹	ChemAxon
Polarizability	42.39 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0037429

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Astragalin

METLIN ID

Not Available

PubChem Compound

5282102

PDB ID

Not Available

ChEBI ID

30200

Good Scents ID

rw1051431

References

General References

Wei Y, Xie Q, Fisher D, Sutherland IA: Separation of patuletin-3-O-glucoside, astragalin, quercetin, kaempferol and isorhamnetin from Flaveria bidentis (L.) Kuntze by elution-pump-out high-performance counter-current chromatography. J Chromatogr A. 2011 Sep 9;1218(36):6206-11. doi: 10.1016/j.chroma.2011.01.058. Epub 2011 Jan 28. [PubMed:21329934 ]
Kim MS, Kim SH: Inhibitory effect of astragalin on expression of lipopolysaccharide-induced inflammatory mediators through NF-kappaB in macrophages. Arch Pharm Res. 2011 Dec;34(12):2101-7. doi: 10.1007/s12272-011-1213-x. Epub 2011 Dec 31. [PubMed:22210036 ]
Saito S, Silva G, Santos RX, Gosmann G, Pungartnik C, Brendel M: Astragalin from Cassia alata induces DNA adducts in vitro and repairable DNA damage in the yeast Saccharomyces cerevisiae. Int J Mol Sci. 2012;13(3):2846-62. doi: 10.3390/ijms13032846. Epub 2012 Mar 5. [PubMed:22489129 ]
Ke M, Hu XQ, Ouyang J, Dai B, Xu Y: The effect of astragalin on the VEGF production of cultured Muller cells under high glucose conditions. Biomed Mater Eng. 2012;22(1-3):113-9. doi: 10.3233/BME-2012-0696. [PubMed:22766709 ]
Kazuma, K., et al. (2003). Kazuma, K., et al, Phytochemistry 62, 229 (2003). Phytochem..

Showing NP-Card for kaempferol 3-glucoside (NP0030630)

MOL for NP0030630 (kaempferol 3-glucoside)

3D MOL for NP0030630 (kaempferol 3-glucoside)

3D SDF for NP0030630 (kaempferol 3-glucoside)

3D-SDF for NP0030630 (kaempferol 3-glucoside)

PDB for NP0030630 (kaempferol 3-glucoside)

3D PDB for NP0030630 (kaempferol 3-glucoside)

SMILES for NP0030630 (kaempferol 3-glucoside)

INCHI for NP0030630 (kaempferol 3-glucoside)

Structure for NP0030630 (kaempferol 3-glucoside)

3D Structure for NP0030630 (kaempferol 3-glucoside)