Np mrd loader

Record Information
Version2.0
Created at2021-06-19 21:56:10 UTC
Updated at2021-08-20 00:00:20 UTC
NP-MRD IDNP0030631
Secondary Accession NumbersNone
Natural Product Identification
Common Namequercetin 3-glucoside. isoquercitrin
Provided ByJEOL DatabaseJEOL Logo
DescriptionIsoquercitrin, also known as isotrifoliin or hirsutrin, 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, isoquercitrin is considered to be a flavonoid. Isoquercitrin is an odorless tasting compound. Isoquercitrin is found, on average, in the highest concentration within a few different foods, such as black chokeberries (Photinia melanocarpa), teas (Camellia sinensis), and green tea and in a lower concentration in lettuces (Lactuca sativa), redcurrants (Ribes rubrum), and black tea. Isoquercitrin has also been detected, but not quantified in, several different foods, such as sorghums (Sorghum bicolor), common wheats (Triticum aestivum), sweet bays (Laurus nobilis), bitter gourds (Momordica charantia), and bamboo shoots (Phyllostachys edulis). This could make isoquercitrin a potential biomarker for the consumption of these foods. Isoquercitrin 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. quercetin 3-glucoside. isoquercitrin is found in Abies nephrolepis, Acacia mangium , Acacia melanoxylon , Acacia nilotica , Acacia praecox, Acaena magellanica, Acalypha australis, Acalypha indica, Acer barbinerve, Acer mandshuricum, Aceraceae negundo, Actinidia kolomikta, Adenothamnus validus, Adiantum monochlamys, Adina racemosa, Aesculus chinensis, Aganosma caryophyllata, Agarista salicifolia, Agrimonia eupatoria, Agrimonia pilosa , Agrimonia pilosa var.japonica , Alangium chinense, Alangium platanifolium, Albizia julibrissin , Physalis alkekengi var. franchetii , Allium ascalonicum , Allium cepa, Allium neapolitanum, Allium obliquum , Allium Sativum, Allium victorialis, Amaranthus viridis, Ammoides pusilla, Amsonia ciliata, Anaphalis sinica, Anchusa azurea, Anemone tomentosa, Anthyllis onobrychioides, Arachis hypogaea, Argemone platyceras, Arnica longifolia, Arnica viscosa, Artemisia armeniaca, Artemisia capillaris , Artemisia gmelinii, Aruncus dioicus, Asanthus thyrsiflora, Asparagus racemosus , Aster koraiensis, Astragalus asper, Astragalus brachycarpus, Astragalus cicer, Astragalus goktschaicus, Astragalus lagurus, Atraphaxis frutescens, Azadirachta indica, Baccharis angustifolia, Baccharis dracunculifolia, Baccharis ochracea, Berberis vulgaris, Betula alnoides, Betula middendorfii, Bidens bipinnata, Boehmeria holosericea, Boehmeria tricuspis, Brassica oleracea, Brassica oleracea var. botrytis italica , Bridelia ferruginea, Buphthalmum salicifolium, Bupleurum rotundifolium L. , Byrsonima crassifolia, Calligonum leucocladum, Calycanthus chinensis, Campanula barbata, Campanula kolenatiana, Campanula persicifolia, Canarium album, Cannomois virgata, Caragana arborescens, Carthamus lanatus, Carthamus tinctorius , Cassia grandis , Cassytha filiformis , Castanopsis fissa, Celosia argentea, Centella asiatica, Cephalaria kotschyi, Cephalaria nachiczevanica, Ceratostigma willmottianum, Cercis canadensis, Chamaenerion angustifolium, Bauhinia glauca, Chenopodium album, Dysphania botrys, Glebionis coronaria, Chrysophyllum cainito, Cinnamomum philippinense, Cistus ladanifer, Clitoria ternatea, Coleogyne ramosissima, Corchorus olitorius, Cornus mas, Cosmos sulphureus, Cotoneaster orbicularis, Craibiodendron yunnanense, Crassocephalum crepidioides, Crataegus cuneata , Crataegus hupehensis, Crataegus kansuensis, Crataegus maximowiczii , Crataegus pinnatifida , Crataegus pinnatifida var.major , Crataegus pinnatifida var.psilosa , Crataegus sanguinea , Crataegus scabrifolia, Cratoxylum formosum ssp.pruniflorum , Cressa cretica, Crocus sativus , Croton tonkinensis GAGNEP, Cruciata taurica, Cryptocarya moschata, Cucumis sativus , Cuscuta chinensis , Cyclamen persicum, Dalbergia sissoo, Dictamnus albus, Dictamnus dasycarpus, Dioscorea bulbifera , Diospyros cathayensis, Draba nemorosa, Ecklonia cava , Empetrum nigrum, Epimedium brevicornum , Epimedium koreanum , Epimedium sagittatum , Erica cinerea, Eskemukerjea megacarpum HARA, Eucalyptus globulus , Eucommia ulmoides, Eucryphia spp., Euonymus sacrosancta, Eupatorium lindleyanum, Euphorbia ebracteolata, Euphorbia humifusa, Euphorbia lunulata , Euphorbia retusa, Pedilanthus tithymaloides , Euscaphis japonica, Evolvulus alsinoides, Excoecaria agallocha, Eysenhardtia subcoriacea Pennell, Fadogia ancylantha, Fagonia indica, Fallopia multiflora, Ficus pandurata, Foeniculum vulgare, Fumaria capreolata , Fumaria officinalis , Fumaria schleicheri, Fumaria vaillantii , Galanthus caucasicus , Garcinia dulcis , Gardenia jasminoides, Genista tricuspidata, Geranium carolinianum, Geranium niveum, Geranium tuberosum, Geranium wilfordii, Gladiolus italicus, Verbena bipinnatifida, Gleditsia sinensis Lam. , Glycyrrhiza glabra L. , Gossypium hirsutum L. , Gutierrezia grandis, Haematoxylum campechianum, Halocnemum strobilaceum, Halostachys caspica, Helichrysum arenarium, Helichrysum stoechas, Hemerocallis fulva, Heterophyllaea pustulata, Hypericum barbatum Jacq. , Hypericum curvisepalum, Hypericum elodioides, Hypericum faberi, Hypericum forrestii, Hypericum hirsutum L., Hypericum lancasteri, Hypericum linarioides BOSSE, Hypericum maculatum Crantz , Hypericum patulum, Hypericum richeri, Hypericum rumeliacum BOISS., Hypericum scabrum , Hypericum sikokumontanum, Hypericum subsessile, Hypericum tetrapterum Fries , Hypericum wightianum subsp.axillare, Ichthyothere terminalis, Ilex dunniana, Ilex hainanensis, Iochroma gesnerioides, Iphiona scabra, Ipomoea batatas, Jasminum grandiflorum, Kalopanax septemlobus , Kandelia candel, Lamium album, Larix sibirica, Lathyrus chrysanthus, Lathyrus pratensis, Laurus nobilis, Lawsonia inermis, Leonurus japonicus, Lepisorus contortus, Lindera obtusiloba, Litchi chinensis, Lotus corniculatus , Lycopus europaeus, Lycoris radiata , Lysimachia mauritiana, Macaranga tanarius, Machilus japonica, Malus domestica, Malus pumila, Malus sylvestris, Matricaria chamomilla , Mayaca fluviatilis, Meconopsis quintuplinervia, Melilotus sulcatus, Pronephrium penangianum, Menyanthes trifoliata L. , Miconia cabucu, Mikania laevigata, Mitragyna speciosa, Monochaetun multiflorum, Morinda citrifolia, Moringa oleifera , Moringa peregrina , Moringa stenopetala , Morus nigra, Myrsine africana, Nymphaea ampla, Onobrychis bobrovi, Onobrychis vassiltschenkoi, Ononis leiosperma, Onychium contiguum, Ophiorrhiza liukiuensis, Oxycoccus quadripetalis, Oxytropis racemosa, Panax ginseng, Papuacedrus papuana, Parageum montanum, Patersonia spp., Pelargonium graveolens , Pelargonium radula, Peltiphyllum peltatum, Inula britannica , Periploca sepium, Persicaria decipiens, Persicaria hydropiper, Polygonum lapathifolium , Petasites japonicus, Peucedanum japonicum, Phedimus stoloniferus, Philadelphus coronarius, Phoenix canariensis, Phyllanthus acidus , Phyllanthus amarus, Picea abies, Pilularia minuta, Pimenta dioica , Planchonella obovata, Plinia cauliflora, Polygonatum orientale, Polygonum equiseiforme, Polygonum salicifolium , Polyommatus icarus, Populus balsamifera, Potentilla anserina, Primula veris , Prunella vulgaris , Prunus armeniaca, Prunus mume, Prunus persica, Prunus salicina, Psidium guajava, Pterogyne nitens, Pyracantha coccinea, Pyrola atropurpurea, Pyrola calliantha , Pyrola japonica , Quercus ilex, Quercus petraea, Quercus suber, Rhamnus davurica, Rhamnus disperma, Eriobotrya japonica , Rhodiola coccinea, Rhododendron anthopogonoides, Rhododendron dauricum , Rhododendron decorum, Rhododendron ellipticum, Rhododendron ferrugineum , Rhododendron micranthum, Rhododendron spinuliferum, Rhus wallichi, Ribes nigrum, Sida hermaphrodita, Rosa gallica, Rubus glaucus, Rubus idaeus, Rubus rigidus, Rudbeckia fulgida, Salix acmophylla , Salix matsudana, Salix raddeana, Salsola collina, Sambucus nigra, Sanguisorba officinalis , Saxifraga stellaris, Saxifraga stolonifera, Sorbus intermedia, Sclerocarya birrea, Securidaca diversifolia, Sedum sarmentosum, Senecio cymosus, Senecio otiles, Senecio yegua, Serenoa repens, Sibiraea angustata, Silphium perfoliatum, Sinoadina racemosa, Solanum incanum, Solanum tuberosum L. , Solidago altissima, Sorbus aucuparia, Sorbus torminalis, Spathodea campanulata, Spiraea canescens, Stachyurus himalaicus, Stevia rebaudiana , Sophora japonica , Tachigali paniculata, Taxodium distichum, Tephrosia vogelii, Terminalia chebula , Thalictrum foetidum, Theobroma cacao L. , Tilia tomentosa, Tribulus terrestris , Trifolium aureum, Trifolium echinatum, Trifolium montanum, Trifolium repens L. , Tulipa gesneriana, Tussilago farfara , Ulmus pumila, Umbilicus rupestris, Uncaria hirsuta , Uncaria rhynchophyllus, Vaccinium macrocarpon, Vaccinium myrtillus, Vahlia capensis, Vauquelinia corymbosa, Veratrum dahuricum, Verbena hybrida, Veronica polita, Veronica montana, Veronica spuria, Viburnum dilatatum, Viburnum tinus, Vicia subvillosa, Vigna radiata, Vitex quinata, Vitis riparia, Vitis vinifera, Wikstroemia canescens, Xylonagra arborea, Zanthoxylum bungeanum and Paliurus spina-christi. quercetin 3-glucoside. isoquercitrin was first documented in 2009 (PMID: 19491660). Based on a literature review a significant number of articles have been published on Isoquercitrin (PMID: 34354722) (PMID: 34203520) (PMID: 34138517) (PMID: 34093611) (PMID: 34070235) (PMID: 34047315).
Structure
Thumb
Synonyms
ValueSource
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneChEBI
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneChEBI
IsoquercetinChEBI
IsotrifoliinChEBI
2-(3,4-Dihidroxyphenyl)-3-(b-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneGenerator
2-(3,4-Dihidroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneGenerator
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneGenerator
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneGenerator
2-(3,4-Dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9ciHMDB
3,3',4',5,7-Pentahydroxyflavone 3-beta-glucosideHMDB
3-Glucopyranosyloxy-3',4',5,7-tetrahydroxyflavoneHMDB
3-GlucosylquercetinHMDB
Glucosyl 3-quercetinHMDB
HirsutrinHMDB
Quercetin 3-beta-D-glucosideHMDB
Quercetin 3-beta-glucosideHMDB
Quercetin 3-beta-O-glucosideHMDB
Quercetin 3-D-glucosideHMDB
Quercetin 3-glucopyranosideHMDB
Quercetin 3-glucosideHMDB
Quercetin 3-monoglucosideHMDB
Quercetin 3-O-glucopyranosideHMDB
Quercetin 3-O-glucosideHMDB
Quercetol 3-glucosideHMDB
Quercetol 3-monoglucosideHMDB
IsoquercitinHMDB
Quercetin-3-O-glucosideHMDB
Quercetin-3-glucosideHMDB
Trifoliin aHMDB
TrifoliinHMDB
Quercetin-3-O-beta-glucosideHMDB
Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranosideHMDB
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxyHMDB
Quercetin 3-O-beta-D-glucofuranosideHMDB
IsoquercitrosideHMDB
Quercetin 3-(beta-D-glucofuranoside)HMDB
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-oneHMDB
Quercetin 3-O-b-D-glucopyranosideHMDB
Quercetin 3-O-β-D-glucopyranosideHMDB
IsoquercitrinChEBI
3-O-beta-D-GlucopyranosylquercetinPhytoBank
3-O-β-D-GlucopyranosylquercetinPhytoBank
3-beta-D-GlucosylquercetinPhytoBank
3-β-D-GlucosylquercetinPhytoBank
3',4',5,7-Tetrahydroxyflavone-3-beta-D-glucopyranosidePhytoBank
3',4',5,7-Tetrahydroxyflavone-3-β-D-glucopyranosidePhytoBank
3’,4’,5,7-Tetrahydroxyflavone-3-β-D-glucopyranosidePhytoBank
Contigoside BPhytoBank
Glucosyl-3-quercetinPhytoBank
IsoquercetrinPhytoBank
Quercetin 3-O-beta-D-glucopyranosidePhytoBank
Quercetin 3-O-beta-D-glucosidePhytoBank
Quercetin 3-O-β-D-glucosidePhytoBank
Quercetin 3-O-beta-glucosidePhytoBank
Quercetin 3-O-β-glucosidePhytoBank
Quercetin 3-mono-D-glucosidePhytoBank
Quercetin 3-beta-D-glucopyranosidePhytoBank
Quercetin 3-β-D-glucopyranosidePhytoBank
Quercetin 3-β-D-glucosidePhytoBank
Quercetin 3beta-O-glucosidePhytoBank
Quercetin 3β-O-glucosidePhytoBank
Quercetin 3beta-glucosidePhytoBank
Quercetin 3β-glucosidePhytoBank
Quercetin glucosidePhytoBank
Quercetin-3-glucosePhytoBank
Quercetin-3-beta-glucopyranosidePhytoBank
Quercetin-3-β-glucopyranosidePhytoBank
Chemical FormulaC21H20O12
Average Mass464.3763 Da
Monoisotopic Mass464.09548 Da
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional Nameisoquercitin
CAS Registry NumberNot Available
SMILES
[H]OC1=C([H])C2=C(C(O[H])=C1[H])C(=O)C(O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=C(O2)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
InChI Identifier
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
InChI KeyOVSQVDMCBVZWGM-QSOFNFLRSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, CD3OD, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus manihotKNApSAcK Database
Abies amabilisKNApSAcK Database
Abies nephrolepisLOTUS Database
Acacia cavenKNApSAcK Database
Acacia mangiumPlant
Acacia melanoxylonPlant
Acacia niloticaPlant
Acacia praecoxPlant
Acaena magellanicaLOTUS Database
Acalypha australisLOTUS Database
Acalypha indicaLOTUS Database
Acanthus ilicifoliusKNApSAcK Database
Acer barbinerveLOTUS Database
Acer mandshuricumLOTUS Database
Aceraceae negundo-
Actinidia kolomiktaLOTUS Database
Adenothamnus validusLOTUS Database
Adiantum monochlamysPlant
Adina racemosaPlant
Aesculus chinensisLOTUS Database
Aganosma caryophyllata-
Agarista salicifoliaLOTUS Database
Agrimonia eupatoriaLOTUS Database
Agrimonia pilosaPlant
Agrimonia pilosa var.japonicaPlant
Ajuga remotaKNApSAcK Database
Alangium chinenseLOTUS Database
Alangium platanifoliumLOTUS Database
Albizia julibrissinPlant
Alkanna orientalisKNApSAcK Database
Alkekengi officinarum var. franchetiiPlant
Allium ascalonicumPlant
Allium cepaLOTUS Database
Allium neapolitanumLOTUS Database
Allium obliquumPlant
Allium sativumPlant
Allium victorialisLOTUS Database
Amaranthus viridisLOTUS Database
Ammoides pusillaLOTUS Database
Amsonia ciliataPlant
Anaphalis sinicaLOTUS Database
Anchusa azureaLOTUS Database
Anemone tomentosaLOTUS Database
Angelica furcijuga KITAGAWAKNApSAcK Database
Anigozanthos pulcherrimusKNApSAcK Database
Anigozanthos rufusKNApSAcK Database
Annona crassifloraKNApSAcK Database
Annona monticolaKNApSAcK Database
Annona muricataKNApSAcK Database
Annona tomentosaKNApSAcK Database
Annona warmingianaKNApSAcK Database
Anthemis altissimaKNApSAcK Database
Anthyllis onobrychioidesPlant
Apocynum lancifoliumKNApSAcK Database
Apocynum venetumKNApSAcK Database
Arachis hypogaeaLOTUS Database
Ardisia colorataKNApSAcK Database
Argemone platycerasLOTUS Database
Arnica longifoliaLOTUS Database
Arnica montana cv.ARBOKNApSAcK Database
Arnica viscosaLOTUS Database
Artemisia annuaKNApSAcK Database
Artemisia armeniacaLOTUS Database
Artemisia capillarisPlant
Artemisia gmeliniiLOTUS Database
Artemisia spp.KNApSAcK Database
Aruncus dioicusLOTUS Database
Asanthus thyrsifloraPlant
Ascarina lucidaKNApSAcK Database
Asparagus racemosusPlant
Aster koraiensisLOTUS Database
Astragalus asperLOTUS Database
Astragalus brachycarpusPlant
Astragalus cicerLOTUS Database
Astragalus goktschaicusLOTUS Database
Astragalus lagurusLOTUS Database
Atraphaxis frutescensLOTUS Database
Azadirachta indicaLOTUS Database
Baccharis angustifoliaLOTUS Database
Baccharis dracunculifoliaLOTUS Database
Baccharis ochraceaLOTUS Database
Baptisia spp.KNApSAcK Database
Bauhinia vahlii L.KNApSAcK Database
Berberis vulgarisLOTUS Database
Betula alnoidesLOTUS Database
Betula middendorfiiPlant
Bidens bipinnataLOTUS Database
Bocagea sp.nov.KNApSAcK Database
Boehmeria holosericeaPlant
Boehmeria tricuspisPlant
Brassica oleraceaLOTUS Database
Brassica oleracea var. botrytisKNApSAcK Database
Brassica oleracea var. botrytis italicaPlant
Brassica oleracea var. costataKNApSAcK Database
Bridelia ferrugineaLOTUS Database
Buphthalmum salicifoliumLOTUS Database
Bupleurum chinenseKNApSAcK Database
Bupleurum rotundifoliaKNApSAcK Database
Bupleurum rotundifoliumPlant
Bupleurum rotundifolium L.KNApSAcK Database
Byrsonima crassifoliaLOTUS Database
Calendula officinalisKNApSAcK Database
Calligonum leucocladumPlant
Calycanthus chinensisLOTUS Database
Camellia sinensisKNApSAcK Database
Campanula barbataLOTUS Database
Campanula glomerata L.KNApSAcK Database
Campanula kolenatianaLOTUS Database
Campanula persicifoliaLOTUS Database
Camptotheca acuminataKNApSAcK Database
Canarium albumLOTUS Database
Cannabis sativaCannabisDB
      Not Available
Cannomois virgataPlant
Caragana arborescensLOTUS Database
Carthamus lanatusLOTUS Database
Carthamus tinctoriusPlant
Carum carviKNApSAcK Database
Carya pecanKNApSAcK Database
Cassia grandisPlant
Cassytha filiformisPlant
Castanopsis fissaLOTUS Database
Casuarina equisetifoliaKNApSAcK Database
Celosia argenteaLOTUS Database
Centaurea giganteaKNApSAcK Database
Centaurea solstitialisKNApSAcK Database
Centella asiaticaLOTUS Database
Cephalaria kotschyiPlant
Cephalaria nachiczevanicaPlant
Ceratostigma willmottianumPlant
Cercis canadensisLOTUS Database
Chaerophyllum hirsutumKNApSAcK Database
Chamerion angustifolium-
Cheniella glaucaLOTUS Database
Chenopodium albumLOTUS Database
Chenopodium botrysLOTUS Database
Chrysanthemum coronariumLOTUS Database
Chrysophyllum cainitoLOTUS Database
Cinnamomum philippinenseLOTUS Database
Cistus ladaniferLOTUS Database
Clibadium spp.KNApSAcK Database
Clitoria ternateaJEOL database
    • Kazuma, K., et al, Phytochemistry 62, 229 (2003)
Coleogyne ramosissimaLOTUS Database
Coleogyne ramosissima Torr.KNApSAcK Database
Commelina communis LKNApSAcK Database
Convallaria keiskeiKNApSAcK Database
Conyza filaginoidesKNApSAcK Database
Corchorus olitoriusLOTUS Database
Cornus masLOTUS Database
Cosmos sulphureusLOTUS Database
Costus spicatusKNApSAcK Database
Cotoneaster orbicularisLOTUS Database
Craibiodendron yunnanenseLOTUS Database
Crassocephalum crepidioidesLOTUS Database
Crataegus cuneataPlant
Crataegus hupehensisPlant
Crataegus kansuensisPlant
Crataegus maximowicziiPlant
Crataegus pinnatifidaPlant
Crataegus pinnatifida var majorKNApSAcK Database
Crataegus pinnatifida var.majorPlant
Crataegus pinnatifida var.psilosaPlant
Crataegus sanguineaPlant
Crataegus scabrifoliaPlant
Cratoxylum formosum ssp.pruniflorumPlant
Cressa creticaLOTUS Database
Crocus sativusPlant
Croton tonkinensis GAGNEPPlant
Cruciata tauricaPlant
Cryptocarya moschataLOTUS Database
Cucumis sativusKNApSAcK Database
Cucumis sativus L.Plant
Curcuma manggaKNApSAcK Database
Cuscuta chinensisPlant
Cyclamen persicumLOTUS Database
Cytisus scopariusKNApSAcK Database
Dalbergia sissooLOTUS Database
Davidsonia pruriensKNApSAcK Database
Descurainia SophiaKNApSAcK Database
Desmanthodium spp.KNApSAcK Database
Dicranopteris linearisKNApSAcK Database
Dictamnus albusLOTUS Database
Dictamnus angustifoliusKNApSAcK Database
Dictamnus dasycarpusLOTUS Database
Dioscorea bulbiferaPlant
Diospyros cathayensisLOTUS Database
Diospyros kakiKNApSAcK Database
Diospyros rhombifoliaKNApSAcK Database
Draba nemorosaLOTUS Database
Ecklonia cavaChromalveolata
Elsholtzia rugulosa Hemsl.KNApSAcK Database
Empetrum nigrumLOTUS Database
Ephedra campylopodaKNApSAcK Database
Epimedium brevicornumPlant
Epimedium koreanumPlant
Epimedium sagittatumPlant
Equisetum arvenseKNApSAcK Database
Equisetum hiemaleKNApSAcK Database
Equisetum sylvaticumKNApSAcK Database
Erica cinereaLOTUS Database
Eriobotrya japonicaKNApSAcK Database
Eskemukerjea megacarpum HARAPlant
Etlingera elatiorKNApSAcK Database
Eucalyptus globulusPlant
Eucalyptus maideniKNApSAcK Database
Eucommia ulmoidesLOTUS Database
Eucommia ulmoides Oliv.KNApSAcK Database
Eucryphia spp.Plant
Euonymus sacrosanctaPlant
Eupatorium lindleyanumPlant
Euphorbia chamaesyceKNApSAcK Database
Euphorbia ebracteolataLOTUS Database
Euphorbia humifusaLOTUS Database
Euphorbia laricaKNApSAcK Database
Euphorbia lunulataPlant
Euphorbia magalantaKNApSAcK Database
Euphorbia retusaLOTUS Database
Euphorbia tithymaloidesPlant
Euphorbia virgataKNApSAcK Database
Euscaphis japonicaLOTUS Database
Evolvulus alsinoidesLOTUS Database
Excoecaria agallochaLOTUS Database
Eysenhardtia subcoriacea PennellPlant
Fadogia ancylanthaLOTUS Database
Fagonia indicaLOTUS Database
Fallopia multifloraLOTUS Database
Ficus pandurataLOTUS Database
Ficus ruficaulisKNApSAcK Database
Foeniculum vulgareLOTUS Database
Forsythia viridissimaKNApSAcK Database
Fumaria capreolataPlant
Fumaria officinalisPlant
Fumaria schleicheriPlant
Fumaria vaillantiiPlant
Gaillardia aristata Pursh.KNApSAcK Database
Galanthus caucasicusPlant
Garcinia dulcisPlant
Gardenia jasminoidesLOTUS Database
Genista tricuspidataLOTUS Database
Gentiana pyrenaica L.KNApSAcK Database
Geranium carolinianumLOTUS Database
Geranium niveumPlant
Geranium tuberosumLOTUS Database
Geranium wilfordiiPlant
Ginkgo bilobaKNApSAcK Database
Gladiolus italicusLOTUS Database
Glandularia bipinnatifidaPlant
Gleditsia japonica Miquel.KNApSAcK Database
Gleditsia sinensisPlant
Gleditsia sinensis LAM.KNApSAcK Database
Glehnia littoralisKNApSAcK Database
Glycyrrhiza glabraPlant
Glycyrrhiza glabra L.KNApSAcK Database
Glycyrrhiza uralensisKNApSAcK Database
Gossypium barbadenseKNApSAcK Database
Gossypium herbaceumKNApSAcK Database
Gossypium hirsutumPlant
Gossypium hirsutum L.KNApSAcK Database
Guatteria australisKNApSAcK Database
Guatteria notabilisKNApSAcK Database
Guatteria rupestrisKNApSAcK Database
Guatteria villosissimaKNApSAcK Database
Gutierrezia grandisPlant
Gutierrezia wrightiiKNApSAcK Database
Haematoxylum campechianumLOTUS Database
Halocnemum strobilaceumLOTUS Database
Halostachys caspicaLOTUS Database
Haplopappus foliosusKNApSAcK Database
Hebe parvifloraKNApSAcK Database
Hedysarum sericeumKNApSAcK Database
Helichrysum arenariumLOTUS Database
Helichrysum stoechasLOTUS Database
Hemerocallis fulvaLOTUS Database
Heterogaura heterandraKNApSAcK Database
Heterophyllaea pustulataLOTUS Database
Hibiscus mutabilisKNApSAcK Database
Houttuynia cordataKNApSAcK Database
Humulus lupulusKNApSAcK Database
Hypericum ascyronKNApSAcK Database
Hypericum barbatum Jacq.Plant
Hypericum curvisepalumPlant
Hypericum elodioidesPlant
Hypericum faberiPlant
Hypericum forrestiiPlant
Hypericum hirsutum L.Plant
Hypericum japonicumKNApSAcK Database
Hypericum lancasteriPlant
Hypericum linarioides BOSSEPlant
Hypericum maculatum CrantzPlant
Hypericum patulumPlant
Hypericum perforatumKNApSAcK Database
Hypericum perforatum L.KNApSAcK Database
Hypericum richeriLOTUS Database
Hypericum rumeliacum BOISS.Plant
Hypericum sampsoniiKNApSAcK Database
Hypericum scabrumPlant
Hypericum sikokumontanumLOTUS Database
Hypericum subsessilePlant
Hypericum tetrapterum FriesPlant
Hypericum thasiumKNApSAcK Database
Hypericum wightianum subsp.axillarePlant
Ichthyothere terminalisLOTUS Database
Ilex dunnianaLOTUS Database
Ilex hainanensisLOTUS Database
Indigofera tetranthaKNApSAcK Database
Inula britannicaKNApSAcK Database
Iochroma gesnerioidesLOTUS Database
Iphiona scabraLOTUS Database
Ipomoea batatasLOTUS Database
Isodon leucophyllusKNApSAcK Database
Japonolirion osenseKNApSAcK Database
Jasminum grandiflorumLOTUS Database
Kalanchoe blossfeldianaKNApSAcK Database
Kalopanax septemlobusPlant
Kandelia candelLOTUS Database
Lactuca indicaKNApSAcK Database
Lamium albumLOTUS Database
Larix deciduaKNApSAcK Database
Larix sibiricaLOTUS Database
Lathyrus chrysanthusPlant
Lathyrus pratensisLOTUS Database
Laurus nobilisLOTUS Database
Lawsonia inermisLOTUS Database
Leonurus japonicusLOTUS Database
Lepisorus contortusLOTUS Database
Leptarrhena pyrolifoliaKNApSAcK Database
Lespedeza bicolorKNApSAcK Database
Levisticum officinaleKNApSAcK Database
Lindera megaphyllaKNApSAcK Database
Lindera obtusilobaPlant
Litchi chinensisLOTUS Database
Lotus corniculatusPlant
Lotus japonicusKNApSAcK Database
Lycopus europaeusLOTUS Database
Lycoris radiataPlant
Lysimachia christinaeKNApSAcK Database
Lysimachia mauritianaPlant
Lysimachia nummulariaKNApSAcK Database
Macaranga tanariusLOTUS Database
Machilus japonicaLOTUS Database
Malus domesticaLOTUS Database
Malus pumilaLOTUS Database
Malus sylvestrisLOTUS Database
Mangifera indicaKNApSAcK Database
Marah oreganusKNApSAcK Database
Marrubium velutinumKNApSAcK Database
Matricaria chamomillaPlant
Mayaca fluviatilisLOTUS Database
Meconopsis quintuplinerviaLOTUS Database
Melicope micrococcaKNApSAcK Database
Melilotus sulcatusLOTUS Database
Menisciopsis penangianaLOTUS Database
Menyanthes trifoliata L.Plant
Miconia cabucuLOTUS Database
Mikania laevigataLOTUS Database
Millettia zechianaKNApSAcK Database
Mitragyna speciosaPlant
Momordica charantiaKNApSAcK Database
Monochaetun multiflorum-
Morinda citrifoliaLOTUS Database
Moringa oleiferaPlant
Moringa peregrinaPlant
Moringa stenopetalaPlant
Morus albaKNApSAcK Database
Morus insignisKNApSAcK Database
Morus nigraLOTUS Database
Musa acuminataKNApSAcK Database
Myrsine africanaLOTUS Database
Nelumbo nuciferaKNApSAcK Database
Nymphaea amplaLOTUS Database
Nymphaea caeruleaKNApSAcK Database
Ochna obtusataKNApSAcK Database
Ocimum basilicumKNApSAcK Database
Onobrychis amoenaKNApSAcK Database
Onobrychis bobroviPlant
Onobrychis chlorassanicaKNApSAcK Database
Onobrychis echidnaKNApSAcK Database
Onobrychis ferganicaKNApSAcK Database
Onobrychis grandisKNApSAcK Database
Onobrychis seravschanicaKNApSAcK Database
Onobrychis vassiltschenkoiPlant
Ononis leiospermaPlant
Onopordum acanthiumKNApSAcK Database
Onychium contiguumLOTUS Database
Ophiorrhiza liukiuensisPlant
Oxycoccus quadripetalis-
Oxytropis racemosaLOTUS Database
Panax ginsengLOTUS Database
Papuacedrus papuanaLOTUS Database
Parageum montanumPlant
Patersonia spp.Plant
Pedilanthus tithymaloidesKNApSAcK Database
Pelargonium graveolensPlant
Pelargonium radulaPlant
Pelargonium reniformeKNApSAcK Database
Peltiphyllum peltatum-
Peltophorum africanumKNApSAcK Database
Pentanema britannicumPlant
Periploca sepiumLOTUS Database
Persicaria decipiensLOTUS Database
Persicaria hydropiperLOTUS Database
Persicaria lapathifoliaPlant
Petasites japonicusLOTUS Database
Peucedanum japonicumLOTUS Database
Phedimus stoloniferusLOTUS Database
Phellodendron amurenseKNApSAcK Database
Philadelphus coronariusLOTUS Database
Phlomis spinidensKNApSAcK Database
Phoenix canariensisLOTUS Database
Phoenix hanceana var. formosanaKNApSAcK Database
Phyllanthus acidusPlant
Phyllanthus amarusLOTUS Database
Phyllanthus emblicaKNApSAcK Database
Phyllanthus niruriKNApSAcK Database
Physalis alkekengi var. franchetiiKNApSAcK Database
Picea abiesLOTUS Database
Pilularia minutaLOTUS Database
Pimenta dioicaPlant
Piper umbellatumKNApSAcK Database
Pitcairnia rubifloraKNApSAcK Database
Planchonella obovataLOTUS Database
Plinia caulifloraLOTUS Database
Podocarpus fasciculusKNApSAcK Database
Polygonatum orientaleLOTUS Database
Polygonum cuspidatumKNApSAcK Database
Polygonum equiseiformePlant
Polygonum persicariaKNApSAcK Database
Polygonum polystachyumKNApSAcK Database
Polygonum salicifoliumPlant
Polyommatus icarusAnimalia
Populus balsamiferaLOTUS Database
Porcelia macrocarpaKNApSAcK Database
Potentilla anserinaLOTUS Database
Primula verisPlant
Prunella vulgarisPlant
Prunus armeniacaLOTUS Database
Prunus cerasusKNApSAcK Database
Prunus mumeLOTUS Database
Prunus persicaLOTUS Database
Prunus salicinaLOTUS Database
Psidium guaijavaKNApSAcK Database
Psidium guajavaLOTUS Database
Pteridium aquilinumKNApSAcK Database
Pterogyne nitensLOTUS Database
Punica granatumKNApSAcK Database
Pyracantha coccineaLOTUS Database
Pyrola atropurpureaPlant
Pyrola callianthaPlant
Pyrola decorataKNApSAcK Database
Pyrola ellipticaKNApSAcK Database
Pyrola japonicaPlant
Pyrola spp.KNApSAcK Database
Pyrrosia linguaKNApSAcK Database
Quercus ilexLOTUS Database
Quercus petraeaLOTUS Database
Quercus suberLOTUS Database
Rhamnus davuricaPlant
Rhamnus dispermaPlant
Rhaphiolepis bibasPlant
Rhodiola coccineaLOTUS Database
Rhodiola crenulataKNApSAcK Database
Rhododendron anthopogonoidesPlant
Rhododendron dauricumPlant
Rhododendron decorumLOTUS Database
Rhododendron ellipticumLOTUS Database
Rhododendron ferrugineumPlant
Rhododendron micranthumPlant
Rhododendron spinuliferumLOTUS Database
Rhus wallichiPlant
Ribes nigrumLOTUS Database
Ricinus communisKNApSAcK Database
Ripariosida hermaphroditaLOTUS Database
Rodgersia podophyllaKNApSAcK Database
Rollinia dolabripetalaKNApSAcK Database
Rosa gallicaLOTUS Database
Rosa luciaeKNApSAcK Database
Rosa rugosaKNApSAcK Database
Rubus glaucusLOTUS Database
Rubus idaeusLOTUS Database
Rubus rigidusLOTUS Database
Rudbeckia fulgidaLOTUS Database
Salix acmophyllaPlant
Salix matsudanaPlant
Salix raddeanaPlant
Salix viminalisKNApSAcK Database
Salsola collinaLOTUS Database
Salvia blepharophyllaKNApSAcK Database
Salvia cavalerieiKNApSAcK Database
Salvia lavandulifoliaKNApSAcK Database
Salvia pinnataKNApSAcK Database
Sambucus nigraLOTUS Database
Sanguisorba officinalisPlant
Sapium haematospermumKNApSAcK Database
Saururus chinensisKNApSAcK Database
Saussurea medusaKNApSAcK Database
Saxifraga stellarisPlant
Saxifraga stoloniferaLOTUS Database
Scandosorbus intermediaLOTUS Database
Sclerocarya birreaLOTUS Database
Securidaca diversifoliaLOTUS Database
Sedum acreKNApSAcK Database
Sedum sarmentosumLOTUS Database
Senecio cymosusPlant
Senecio otilesPlant
Senecio yeguaPlant
Serenoa repensLOTUS Database
Sibiraea angustataLOTUS Database
Silphium perfoliatumLOTUS Database
Silphium perfoliatum L.KNApSAcK Database
Sinoadina racemosaPlant
Sinocrassula indicaKNApSAcK Database
Solanum incanumLOTUS Database
Solanum tuberosumPlant
Solanum tuberosum L.KNApSAcK Database
Solidago altissimaKNApSAcK Database
Solidago canadensis var. scabraPlant
Sophora japonicaKNApSAcK Database
Sorbus aucupariaLOTUS Database
Sorbus commixtaKNApSAcK Database
Sorbus torminalisLOTUS Database
Spathodea campanulataLOTUS Database
Spiraea canescensLOTUS Database
Spiraea formosanaKNApSAcK Database
Stachyurus himalaicusLOTUS Database
Stevia rebaudianaPlant
Strychnos spinosaKNApSAcK Database
Styphnolobium japonicumPlant
Tachigali paniculataLOTUS Database
Tachigalia paniculataKNApSAcK Database
Takakia spp.KNApSAcK Database
Taxillus levineiKNApSAcK Database
Taxodium distichumPlant
Tephrosia vogeliiLOTUS Database
Terminalia chebulaPlant
Thalictrum foetidumLOTUS Database
Thelypteris nipponicaKNApSAcK Database
Theobroma cacaoPlant
Theobroma cacao L.KNApSAcK Database
Tilia tomentosaLOTUS Database
Tribulus alatus Del.KNApSAcK Database
Tribulus terrestrisPlant
Trifolium aureumLOTUS Database
Trifolium echinatumLOTUS Database
Trifolium montanumPlant
Trifolium pratenseKNApSAcK Database
Trifolium repensPlant
Trifolium subterraneumKNApSAcK Database
Tripterygium regeliiKNApSAcK Database
Tulipa gesnerianaLOTUS Database
Tussilago farfaraPlant
Ulmus pumilaLOTUS Database
Umbilicus rupestrisLOTUS Database
Uncaria hirsutaPlant
Uncaria rhynchophyllusPlant
Vaccinium macrocarponLOTUS Database
Vaccinium myrtillusLOTUS Database
Vahlia capensisLOTUS Database
Vauquelinia corymbosaLOTUS Database
Veratrum dahuricumLOTUS Database
Verbena hybridaPlant
Veronica didymaPlant
Veronica montanaPlant
Veronica spuriaPlant
Viburnum dilatatumLOTUS Database
Viburnum tinusLOTUS Database
Vicia sativaKNApSAcK Database
Vicia subvillosaLOTUS Database
Vigna radiataLOTUS Database
Vitex quinataLOTUS Database
Vitis ripariaLOTUS Database
Vitis viniferaLOTUS Database
Vitis vinifera var.'Trebbiano'.KNApSAcK Database
Warburgia stuhlmanniiKNApSAcK Database
Wikstroemia canescensLOTUS Database
Xylonagra arboreaLOTUS Database
Xylopia aromaticaKNApSAcK Database
Zanthoxylum bungeanumPlant
Zinnia elegansKNApSAcK Database
Ziziphus spinosaLOTUS Database
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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting Point226.00 to 228.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point916.00 to 917.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0The Good Scents Company Information System
LogP0.049 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
logP0.47ALOGPS
logP-0.14ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)6.37ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area206.6 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity109.28 m³·mol⁻¹ChemAxon
Polarizability43.56 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0037362
DrugBank IDDB12665
Phenol Explorer Compound ID293
FoodDB IDFDB016389
KNApSAcK IDC00005373
Chemspider ID4444361
KEGG Compound IDC05623
BioCyc IDCPD1F-437
BiGG IDNot Available
Wikipedia LinkIsoquercetin
METLIN IDNot Available
PubChem Compound5280804
PDB IDNot Available
ChEBI ID68352
Good Scents IDrw1699081
References
General References
  1. Amado NG, Cerqueira DM, Menezes FS, da Silva JF, Neto VM, Abreu JG: Isoquercitrin isolated from Hyptis fasciculata reduces glioblastoma cell proliferation and changes beta-catenin cellular localization. Anticancer Drugs. 2009 Aug;20(7):543-52. doi: 10.1097/CAD.0b013e32832d1149. [PubMed:19491660 ]
  2. Zhou S, Yan X, Yang J, Qian C, Yin X, Fan X, Fang T, Gao Y, Chang Y, Liu W, Ma XF: Variations in Flavonoid Metabolites Along Altitudinal Gradient in a Desert Medicinal Plant Agriophyllum squarrosum. Front Plant Sci. 2021 Jun 30;12:683265. doi: 10.3389/fpls.2021.683265. eCollection 2021. [PubMed:34354722 ]
  3. Faggian M, Bernabe G, Ferrari S, Francescato S, Baratto G, Castagliuolo I, Dall'Acqua S, Peron G: Polyphenol-Rich Larix decidua Bark Extract with Antimicrobial Activity against Respiratory-Tract Pathogens: A Novel Bioactive Ingredient with Potential Pharmaceutical and Nutraceutical Applications. Antibiotics (Basel). 2021 Jun 28;10(7). pii: antibiotics10070789. doi: 10.3390/antibiotics10070789. [PubMed:34203520 ]
  4. Perez-Vasquez A, Padilla-Mayne S, Martinez AL, Calderon JS, Macias-Rubalcava ML, Torres-Colin R, Rangel-Grimaldo M, Mata R: Antinociceptive Activity of Compounds from the Aqueous Extract of Melampodium divaricatum. Chem Biodivers. 2021 Aug;18(8):e2100369. doi: 10.1002/cbdv.202100369. Epub 2021 Jul 13. [PubMed:34138517 ]
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