NP-MRD: Showing NP-Card for Apigenin (NP0043837)

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Record Information

Version

2.0

Created at

2021-06-22 17:25:05 UTC

Updated at

2024-09-03 04:19:08 UTC

NP-MRD ID

NP0043837

Natural Product DOI

https://doi.org/10.57994/1648

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Apigenin

Description

Apigenin, also known as chamomile or versulin, belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Thus, apigenin is considered to be a flavonoid. Apigenin 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. Apigenin is found in Abies pindrow, Abies spectabilis, Acer oblongum, Achillea atrata, Achillea fragrantissima, Achillea ligustica, Achillea pannonica, Achlys triphylla, Achyrocline alata, Adhatoda vasica , Aeginetia indica, Aglaia cucullata, Aglaia foveolata, Ailanthus altissima, Ajuga decumbens, Albizia julibrissin, Allium obliquum , Allium rotundum, Aloe spp. , Aloysia citrodora, Alpinia officinarum, Ambrosia artemisiifolia, Ambrosia artemisioides, Anadenanthera colubrina, Anaphalis contorta, Anaphalis lactea, Anaphalis margaritacea, Andrographis paniculata, Antennaria dioica, Anthemis auriculata, Anthemis pseudocotula, Anthriscus sylvestris, Aquilegia oxysepala, Argyrochosma nivea, Aristolochia cucurbitifolia, Arnica acaulis, Arnica chamissonis, Arnica longifolia, Arnica sororia, Fridericia platyphylla, Artabotrys hexapetalus, Artemisia afra, Artemisia annua, Artemisia arborescens, Artemisia argyi, Artemisia assoana, Artemisia austriaca, Artemisia caucasica, Artemisia diffusa, Artemisia fragrans, Artemisia frigida, Artemisia herba-alba, Artemisia ludoviciana, Artemisia mesatlantica, Artemisia montana, Artemisia nova, Arum maculatum, Asphodeline damascena, Aster koraiensis, Aster souliei, Astragalus macropterus, Astragalus peregrinus, Astragalus sieberi, Astragalus verrucosus, Asyneuma campanuloides, Atractylodes macrocephala, Aureolaria virginica, Baccharis genistelloides, Baccharis sagittalis, Baccharis salicifolia, Bacopa monniera, Bahiopsis triangularis, Balbisia calycina, Ballota acetabulosa, Ballota hirsuta, Ballota nigra, Berlinia grandiflora, Betonica officinalis, Betula pendula, Bidens frondosa, Bidens pilosa, Blepharis linariifolia, Boltonia asteroides, Bombax ceiba, Xerochrysum viscosum, Broussonetia papyrifera, Brownea ariza, Bryum argenteum, Bryum pseudotriquetrum, Calibrachoa parviflora, Calicotome villosa, Callicarpa nudiflora, Callistephus chinensis, Campanula pendula, Caragana spinosa, Carallia brachiata, Carduus nutans, Carduus tenuiflorus, Cassia javanica, Celtis australis, Centaurea alexandrina, Centaurea arenaria, Centaurea aspera, Centaurea cineraria, Centaurea collina, Centaurea cyanus, Centaurea horrida, Centaurea kilaea, Centaurea nervosa, Centaurea pallescens, Centaurea pseudomaculosa, Centaurea scoparia, Centaurea tougourensis, Centipeda minima, Cephalotaxus sinensis, Chaenomeles sinensis, Chiococca alba, Chrozophora tinctoria, Chrysanthemum indicum, Chrysanthemum morifolium, Chrysanthemum zawadskii, Cicerbita muralis, Cinnamomum kotoense, Cirsium arvense, Cirsium carolinianum, Cirsium japonicum, Cirsium oleraceum, Cirsium rhinoceros, Cistus incanus, Cistus ladanifer, Cistus laurifolius, Citrus sinensis, Clerodendrum bungei, Codonopsis clematidea, Codonopsis ovata, Colchicum autumnale, Colchicum speciosum, Coleus aromaticus , Colocasia escultenta, Conyza bonariensis, Corchorus depressus, Coriandrum sativum, Cota altissima, Cota palaestina, Crataegus laevigata, Crataegus monogyna, Crataegus orientalis, Crataegus sanguinea, Crepidomanes minutum, Crocus sativus , Crotalaria pallida, Cryptomeria japonica, Silene baccifera, Cupressus sempervirens, Cyclotrichium niveum, Carex fraseriana, Cynara humilis, Cyphostemma digitatum, Cyrtocymura scorpioides, Dalbergia hupeana, Dalbergia lanceolaria, Daphne feddei, Daphne genkwa, Daphne gnidium, Daphne laureola, Daphniphyllum angustifolium, Chrysanthemum lavandulifolium, Dicliptera chinensis, Digitalis ciliata, Digitalis grandiflora, Dioscorea oppositifolia, Doronicum macrophyllum, Dracocephalum multicaule, Dubautia arborea, Duhaldea cappa, Echinop ritro, Echinops echinatus, Echinops ritro, Eclipta prostrata, Elsholtzia ciliata, Elsholtzia rugulosa, Entada phaseoloides, Eremanthus veadeiroensis, Erica cinerea, Ericameria laricifolia, Erigeron annuus, Erigeron canadensis, Eriodictyon sessilifolium, Euterpe oleracea, Evandra aristata, Farsetia aegyptia, Ficus mucuso, Ficus nervosa, Ficus pumila, Ficus subcuneata, Fouquieria splendens, Fumaria capreolata , Fumaria officinalis , Fumaria schleicheri, Fumaria vaillantii , Gaillardia aristata, Galeopsis bifida, Garcinia bracteata, Garcinia nervosa, Gardenia resinifera, Verbena bipinnatifida, Glandularia hybrida, Glechoma hederacea, Globularia alypum, Globularia bisnagarica, Glycyrrhiza uralensis, Gonocaryum calleryanum, Tanacetum ferulaceum, Goyazianthus tetrastichus, Gratiola officinalis, Gutierrezia sarothrae, Gymnocarpium robertianum, Halenia elliptica, Haplopteris anguste-elongata, Hazardia squarrosa, Helichrysum arenarium, Helichrysum armenium, Holocarpha heermannii, Humboldtia laurifolia, Hypericum perforatum, Ilex leucoclada, Iris pseudacorus, Isocoma acradenia, Isodon oresbius, Isodon phyllostachys, Digitalis chalcantha, Itea parviflora, Itoa orientalis, Ixeridium laevigatum, Sabina chinensis, Juniperus communis, Juniperus sabina, Klasea flavescens, Knautia montana, Lactuca formosana, Lactuca perennis, Lactuca quercina, Lactuca viminea, Laennecia sophiifolia (Kunth) G.L.Nesom, Lagerstroemia indica, Lagochilus leiacanthus, Lagotis yunnanensis, Laguncularia racemosa, Lamyropsis cynaroides, Lantana montevidensis, Lavandula angustifolia, Lavandula dentata, Lawsonia alba , Layia hieracioides, Leontodon saxatilis, Leonurus japonicus, Libocedrus plumosa, Ligustrum japonicum, Ligustrum robustum, Limonium axillare, Limonium bicolor, Limonium sinense, Linaria macroura, Livistona australis, Lomelosia caucasica, Lorandersonia pulchella, Lotus uliginosus, Luetkea pectinata, Lugoa revoluta, Lupinus luteus, Lycopus europaeus, Lycopus lucidus, Lycopus virginicus, Maclura pomifera, Macrothelypteris torresiana, Madia sativa, Marchantia polymorpha, Marrubium cylleneum, Marrubium velutinum, Marrubium vulgare, Matricaria chamomilla, Meehania urticifolia, Melanargia galathea, Mentha piperita, Micromeria cristata, Mimosa tenuiflora, Mirabilis viscosa, Mitragyna speciosa, Plagiomnium affine, Molineria capitulata, Moraea sisyrinchium, Morinda morindoides, Moringa oleifera , Moringa peregrine, Moringa stenopetala , Mosla chinensis, Mosla scabra, Myoporum tenuifolium, Nannoglottis ravida, Notholaena greggii, Notobasis syriaca, Ocimum sanctum , Ocimum africanum, Odontites luteus, Oligochaeta divaricata, Omalotheca sylvatica, Onopordum acaulon, Onosma heterophylla, Origanum calcaratum, Origanum dictamnus , Origanum floribundum, Origanum majoricum, Origanum microphyllum, Origanum onites , Origanum syriacum , Origanum vulgare subsp. Glandulosum , Origanum vulgare subsp. Hirtum , Ormosia henryi, Osmanthus fortunei, Osmanthus fragrans, Osmanthus heterophyllus, Oxytropis falcata, Oxytropis ochrocephala, Pallenis hierochuntica, Paraburkholderia phymatum, Parkinsonia aculeata, Passiflora foetida, Passiflora incarnata, Paulownia coreana, Pedicularis longiflora, Pedicularis rex, Penstemon serrulatus, Perilla frutescens, Cryptolepis nigrescens, Petunia hybrida, Phillyrea latifolia, Phlomis bovei, Phlomis herba-venti, Phlomis samia, Phlomoides tuberosa, Phoradendron leucarpum, Picea neoveitchii, Picris hieracioides, Pilosella officinarum, Pinus armandii, Pinus morrisonicola, Plagiomnium ciliare, Plantago albicans, Plantago argentea, Plantago asiatica, Plantago holosteum, Plantago maritima , Platycodon grandiflorus, Pogostemon stellatus, Polylepis incana, Populus balsamifera, Populus deltoides, Populus nigra, Populus tremula, Pourouma guianensis, Premna fulva, Prostanthera melissifolia, Pseudostifftia kingii, Pteridium aquilinum, Pteris multifida, Pterogyne nitens, Pueraria montana, Pyrrhopappus carolinianus, Relhania corymbosa, Reseda muricata, Retama raetam, Rhamnus alaternus , Rhamnus davurica, Rhynchosia beddomei, Rosa rugosa, Rumex dentatus , Rumex vesicarius , Saccharum officinarum, Salix acutifolia, Salix lindleyana, Salvia atropatana, Salvia bucharica, Salvia candelabrum, Salvia fruticosa, Salvia mirzayanii, Salvia montbretii, Salvia sahendica, Salvia trijuga, Salvia sylvestris, Santolina pinnata, Satureja cuneifolia, Scapholeberis mucronata, Schoenia cassiniana, Scolopia spinosa, Scoparia dulcis, Scorzonera laciniata, Scutellaria albida, Scutellaria alpina, Scutellaria baicalensis, Scutellaria discolor, Scutellaria galericulata, Scutellaria immaculata, Scutellaria indica, Scutellaria ovata, Selaginella tamariscina , Senna didymobotrya, Senna italica, Serratula coronata, Serratula tinctoria, Sida galheirensis, Sideritis cretica, Sideritis leucantha, Sideritis raeseri, Sideritis taurica, Silene saxatilis, Silybum marianum, Sinningia cardinalis, Smilax perfoliata, Sonchus asper, Sophora secundiflora, Sphagneticola trilobata, Stachys aegyptiaca, Stachys ocymastrum, Stellaria media , Stevia rebaudiana , Striga asiatica, Striga gesnerioides, Strobilanthes crispus , Swertia tetrapetala, Symphyotrichum eatonii, Symphyotrichum subulatum, Tamarix dioica, Tanacetum parthenium, Tanacetum vulgare, Taxodium distichum, Taxus media, Taxus yunnanensis, Teucrium chamaedrys, Teucrium divaricatum, Teucrium japonicum, Teucrium polium, Theobroma cacao L. , Thymus capitatus , Thymus comosus, Thymus herba-barona, Thymus numidicus, Tilia tomentosa, Tinospora crispa , Trachelospermum jasminoides, Tragopogon pratensis, Trifolium pratense , Trypanosoma brucei, Turnera aphrodisiaca, Turnera diffusa , Turnera subulata, Turnera ulmifolia , Vachellia tortilis, Valeriana amurensis, Verbascum phlomoides, Verbascum songaricum, Verbena hybrida, Verbena officinalis , Vernonanthura nudiflora, Veronica chamaedrys, Veronica officinalis , Veronica orchidea, Veronica spuria, Veronica teucrium, Viburnum coriaceum, Viburnum cylindricum, Vicia sativa, Vicia subvillosa, Viola arvensis, Vitex agnus-castus, Vitis cinerea, Vitis vinifera, Volkameria inermis, Volutaria crupinoides, Wikstroemia canescens, Zea mays , Ziziphora clinopodioides and Ziziphora tenuior. Apigenin was first documented in 2006 (PMID: 16982614). Based on a literature review a small amount of articles have been published on Apigenin (PMID: 16844095) (PMID: 16648565) (PMID: 23304222).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

NP0043837
     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.0245   -2.3841    1.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -1.4512    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -1.3938    0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.3590    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -0.2684   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    0.8022   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    0.9010   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7081   -0.0215   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    0.1331   -0.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873   -1.0696    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169   -1.1845    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576    0.5663   -0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    0.5622   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    1.5502   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7043    1.5302   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    2.5370   -1.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2886    0.4959   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -0.5072    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576   -1.5521    1.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -0.4502    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -2.1739    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8537    1.5571   -1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    1.7261   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6296    0.6712    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728   -1.8023    0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512   -2.0389    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062    2.3346   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7903    2.4146   -2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622    0.4891   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1637   -1.6140    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  5  1  0
 20 13  1  0
  3 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

  Mrv1652306222119252D          

 20 22  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043837

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

> <INCHI_KEY>
KZNIFHPLKGYRTM-UHFFFAOYSA-N

> <FORMULA>
C15H10O5

> <MOLECULAR_WEIGHT>
270.2369

> <EXACT_MASS>
270.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
26.78231868537869

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
3.07

> <JCHEM_LOGP>
2.706689133666666

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.074380554834784

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.5746917607523745

> <JCHEM_PKA_STRONGEST_BASIC>
-5.381179969028214

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
72.91390000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chamomile

> <JCHEM_VEBER_RULE>
0

$$$$

NP0043837
     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.0245   -2.3841    1.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -1.4512    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -1.3938    0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.3590    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -0.2684   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    0.8022   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    0.9010   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7081   -0.0215   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    0.1331   -0.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873   -1.0696    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169   -1.1845    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576    0.5663   -0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    0.5622   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    1.5502   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7043    1.5302   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    2.5370   -1.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2886    0.4959   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -0.5072    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576   -1.5521    1.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -0.4502    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -2.1739    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8537    1.5571   -1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    1.7261   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6296    0.6712    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728   -1.8023    0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512   -2.0389    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062    2.3346   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7903    2.4146   -2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622    0.4891   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1637   -1.6140    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  5  1  0
 20 13  1  0
  3 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

HEADER    PROTEIN                                 22-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUN-21         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8   17                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   11   17                                                  
CONECT   17   16    7                                                       
CONECT   18   14                                                            
CONECT   19   12                                                            
CONECT   20    3                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

COMPND    NP0043837
HETATM    1  O1  UNL     1      -2.024  -2.384   1.521  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.467  -1.451   0.895  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.083  -1.394   0.789  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.498  -0.359   0.095  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.961  -0.268  -0.036  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.489   0.802  -0.750  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.859   0.901  -0.882  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.708  -0.022  -0.332  1.00  0.00           C  
HETATM    9  O2  UNL     1       6.096   0.133  -0.500  1.00  0.00           O  
HETATM   10  C8  UNL     1       4.187  -1.070   0.367  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.817  -1.185   0.509  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.258   0.566  -0.461  1.00  0.00           O  
HETATM   13  C10 UNL     1      -1.543   0.562  -0.394  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.331   1.550  -0.989  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.704   1.530  -0.908  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.480   2.537  -1.516  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.289   0.496  -0.215  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.569  -0.507   0.393  1.00  0.00           C  
HETATM   19  O5  UNL     1      -4.158  -1.552   1.094  1.00  0.00           O  
HETATM   20  C15 UNL     1      -2.188  -0.450   0.288  1.00  0.00           C  
HETATM   21  H1  UNL     1       0.507  -2.174   1.260  1.00  0.00           H  
HETATM   22  H2  UNL     1       1.854   1.557  -1.203  1.00  0.00           H  
HETATM   23  H3  UNL     1       4.287   1.726  -1.433  1.00  0.00           H  
HETATM   24  H4  UNL     1       6.630   0.671   0.191  1.00  0.00           H  
HETATM   25  H5  UNL     1       4.873  -1.802   0.803  1.00  0.00           H  
HETATM   26  H6  UNL     1       2.451  -2.039   1.076  1.00  0.00           H  
HETATM   27  H7  UNL     1      -1.806   2.335  -1.519  1.00  0.00           H  
HETATM   28  H8  UNL     1      -4.790   2.415  -2.473  1.00  0.00           H  
HETATM   29  H9  UNL     1      -5.362   0.489  -0.157  1.00  0.00           H  
HETATM   30  H10 UNL     1      -5.164  -1.614   1.184  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4    4   21
CONECT    4    5   12
CONECT    5    6    6   11
CONECT    6    7   22
CONECT    7    8    8   23
CONECT    8    9   10
CONECT    9   24
CONECT   10   11   11   25
CONECT   11   26
CONECT   12   13
CONECT   13   14   14   20
CONECT   14   15   27
CONECT   15   16   17   17
CONECT   16   28
CONECT   17   18   29
CONECT   18   19   20   20
CONECT   19   30
END

NP0043837
     RDKit          3D

30 32  0  0  0  0  0  0  0  0999 V2000
   -2.0245   -2.3841    1.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -1.4512    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -1.3938    0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.3590    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -0.2684   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893    0.8022   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    0.9010   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7081   -0.0215   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958    0.1331   -0.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873   -1.0696    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169   -1.1845    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576    0.5663   -0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    0.5622   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    1.5502   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7043    1.5302   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798    2.5370   -1.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2886    0.4959   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692   -0.5072    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576   -1.5521    1.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -0.4502    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072   -2.1739    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8537    1.5571   -1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    1.7261   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6296    0.6712    0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728   -1.8023    0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4512   -2.0389    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062    2.3346   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7903    2.4146   -2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622    0.4891   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1637   -1.6140    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 11  5  1  0
 20 13  1  0
  3 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Value	Source
2-(p-Hydroxyphenyl)-5,7-dihydroxychromone	ChEBI
4',5,7-Trihydroxyflavone	ChEBI
5,7,4'-Trihydroxyflavone	ChEBI
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone	ChEBI
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	ChEBI
C.I. natural yellow 1	ChEBI
Chamomile	ChEBI
Spigenin	ChEBI
Versulin	ChEBI
4',5,7-Trihydroxy-flavone	HMDB
4,5, 7-Trihydroxyflavone	HMDB
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one	HMDB
Apigenol	HMDB
4’,5,7-Trihydroxyflavone	PhytoBank
5,7,4’-Trihydroxyflavone	PhytoBank
5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one	PhytoBank
5,7-Dihydroxy-2-p-hydroxyphenyl-4-chromenone	PhytoBank
Apegenin	PhytoBank
Apigenin	PhytoBank
Apigenine	PhytoBank

Chemical Formula

C₁₅H₁₀O₅

Average Mass

270.2369 Da

Monoisotopic Mass

270.05282 Da

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Traditional Name

chamomile

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

InChI Identifier

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

InChI Key

KZNIFHPLKGYRTM-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-01-23	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-01-23	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-01-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-01-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-01-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Pyridine-d5, 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 pindrow	LOTUS Database	35616633
Abies spectabilis	LOTUS Database	35616633
Acacia aroma	KNApSAcK Database	22123792
Acanthus ilicifolius	KNApSAcK Database	22123792
Acer oblongum	LOTUS Database	35616633
Achillea atrata	LOTUS Database	35616633
Achillea atrata L.ssp.multifida	KNApSAcK Database	22123792
Achillea clavennae	KNApSAcK Database	22123792
Achillea fragrantissima	LOTUS Database	35616633
Achillea ligustica	LOTUS Database	35616633
Achillea millefolium	KNApSAcK Database	22123792
Achillea pannonica	LOTUS Database	35616633
Achlys triphylla	LOTUS Database	35616633
Achyrocline alata	LOTUS Database	35616633
Actinidia chinensis	FooDB	PHENOL EXPLORER
Adhatoda vasica	Plant	KNApSAcK
Aechmea glomerata	KNApSAcK Database	22123792
Aeginetia indica	LOTUS Database	35616633
Agaricus bisporus	FooDB	USDA
Agave	FooDB	FooDB
Aglaia cucullata	LOTUS Database	35616633
Aglaia foveolata	LOTUS Database	35616633
Agrimonia pilosa	KNApSAcK Database	22123792
Ailanthus altissima	LOTUS Database	35616633
Ajuga decumbens	LOTUS Database	35616633
Albizia julibrissin	LOTUS Database	35616633
Allium ampeloprasum	FooDB	USDA
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	PHENOL EXPLORER
Allium cepa L.	FooDB	USDA
Allium fistulosum	FooDB	PHENOL EXPLORER
Allium obliquum	Plant	KNApSAcK
Allium rotundum	LOTUS Database	35616633
Allium sativum	KNApSAcK Database	22123792
Allium schoenoprasum	FooDB	PHENOL EXPLORER
Allium tuberosum	FooDB	FooDB
Aloe spp.	Plant	KNApSAcK
Aloysia citrodora	LOTUS Database	35616633
Aloysia triphylla	FooDB	FooDB
Alpinia officinarum	LOTUS Database	35616633
Amaranthus	FooDB	FooDB
Amberboa ramosa	KNApSAcK Database	22123792
Ambrosia artemisiifolia	LOTUS Database	35616633
Ambrosia artemisioides	LOTUS Database	35616633
Amelanchier alnifolia	FooDB	FooDB
Anacardium occidentale	FooDB	PHENOL EXPLORER
Anadenanthera colubrina	LOTUS Database	35616633
Ananas comosus	FooDB	PHENOL EXPLORER
Anaphalis contorta	LOTUS Database	35616633
Anaphalis lactea	LOTUS Database	35616633
Anaphalis margaritacea	LOTUS Database	35616633
Andrographis paniculata	LOTUS Database	35616633
Anethum graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Angelica keiskei	FooDB	PHENOL EXPLORER
Anisomeles Anisomeles indica	KNApSAcK Database	22123792
Annona cherimola	FooDB	FooDB
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Antennaria dioica	LOTUS Database	35616633
Anthemis altissima	KNApSAcK Database	22123792
Anthemis auriculata	LOTUS Database	35616633
Anthemis pseudocotula	LOTUS Database	35616633
Anthriscus cerefolium	FooDB	FooDB
Anthriscus sylvestris	LOTUS Database	35616633
Antirrhinum majus	KNApSAcK Database	22123792
Antirrhinum spp.	KNApSAcK Database	22123792
Apis mellifera ligustica	KNApSAcK Database	22123792
Apium graveolens	KNApSAcK Database	22123792
Apium graveolens var. dulce	FooDB	PHENOL EXPLORER
Apium graveolens var. rapaceum	FooDB	PHENOL EXPLORER
Apium graveolens var. secalinum	FooDB	PHENOL EXPLORER
Aquilegia ecalcarata	KNApSAcK Database	22123792
Aquilegia oxysepala	LOTUS Database	35616633
Arachis hypogaea	FooDB	PHENOL EXPLORER
Arctium lappa	FooDB	FooDB
Argyrochosma nivea	LOTUS Database	35616633
Aristolochia cucurbitifolia	LOTUS Database	35616633
Armoracia rusticana	FooDB	PHENOL EXPLORER
Arnica acaulis	LOTUS Database	35616633
Arnica chamissonis	LOTUS Database	35616633
Arnica longifolia	LOTUS Database	35616633
Arnica sororia	LOTUS Database	35616633
Arrabidaea brachypoda	LOTUS Database	35616633
Artabotrys hexapetalus	LOTUS Database	35616633
Artabotrys uncinatus	KNApSAcK Database	22123792
Artemisia afra	LOTUS Database	35616633
Artemisia annua	LOTUS Database	35616633
Artemisia arborescens	LOTUS Database	35616633
Artemisia argyi	LOTUS Database	35616633
Artemisia assoana	LOTUS Database	35616633
Artemisia austriaca	LOTUS Database	35616633
Artemisia caucasica	LOTUS Database	35616633
Artemisia diffusa	LOTUS Database	35616633
Artemisia dracunculus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Artemisia fragrans	LOTUS Database	35616633
Artemisia frigida	LOTUS Database	35616633
Artemisia herba-alba	LOTUS Database	35616633
Artemisia ludoviciana	LOTUS Database	35616633
Artemisia mesatlantica	LOTUS Database	35616633
Artemisia minor	KNApSAcK Database	22123792
Artemisia montana	LOTUS Database	35616633
Artemisia nova	LOTUS Database	35616633
Artemisia vestita	KNApSAcK Database	22123792
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Arum maculatum	LOTUS Database	35616633
Asparagus officinalis	KNApSAcK Database	22123792
Asphodeline damascena	LOTUS Database	35616633
Asphodeline globifera	KNApSAcK Database	22123792
Aster koraiensis	LOTUS Database	35616633
Aster souliei	LOTUS Database	35616633
Astragalus macropterus	LOTUS Database	35616633
Astragalus peregrinus	LOTUS Database	35616633
Astragalus sieberi	LOTUS Database	35616633
Astragalus verrucosus	LOTUS Database	35616633
Asyneuma campanuloides	LOTUS Database	35616633
Atractylodes macrocephala	LOTUS Database	35616633
Attalea speciosa	FooDB	FooDB
Aureolaria virginica	LOTUS Database	35616633
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	FooDB
Averrhoa carambola	FooDB	FooDB
Baccharis gaudichaudiana	KNApSAcK Database	22123792
Baccharis genistelloides	LOTUS Database	35616633
Baccharis sagittalis	LOTUS Database	35616633
Baccharis salicifolia	LOTUS Database	35616633
Bacopa monniera	KNApSAcK Database	22123792
Bacopa monnieri	Plant	KNApSAcK
Bahiopsis triangularis	LOTUS Database	35616633
Balbisia calycina	LOTUS Database	35616633
Ballota acetabulosa	LOTUS Database	35616633
Ballota hirsuta	LOTUS Database	35616633
Ballota nigra	LOTUS Database	35616633
Basella alba	FooDB	USDA
Bellis perennis	KNApSAcK Database	22123792
Benincasa hispida	FooDB	FooDB
Berlinia grandiflora	LOTUS Database	35616633
Bertholletia excelsa	FooDB	PHENOL EXPLORER
Beta vulgaris	FooDB	USDA
Beta vulgaris ssp. cicla	FooDB	FooDB
Betonica officinalis	LOTUS Database	35616633
Betula nigra	KNApSAcK Database	22123792
Betula pendula	LOTUS Database	35616633
Bidens frondosa	LOTUS Database	35616633
Bidens pilosa	LOTUS Database	35616633
Bidens tripartita	KNApSAcK Database	22123792
Biebersteinia orphanidis	KNApSAcK Database	22123792
Blepharis linariifolia	LOTUS Database	35616633
Blepharis sindica	KNApSAcK Database	22123792
Bletilla formosana	KNApSAcK Database	22123792
Boehmeria nivea	KNApSAcK Database	22123792
Boltonia asteroides	LOTUS Database	35616633
Bombax ceiba	LOTUS Database	35616633
Borago officinalis	FooDB	FooDB
Bracteantha viscosa	LOTUS Database	35616633
Brassica alboglabra	FooDB	PHENOL EXPLORER
Brassica juncea	FooDB	FooDB
Brassica napus	FooDB	PHENOL EXPLORER
Brassica napus var. napus	FooDB	PHENOL EXPLORER
Brassica oleracea	KNApSAcK Database	22123792
Brassica oleracea var. botrytis	FooDB	PHENOL EXPLORER
Brassica oleracea var. capitata	FooDB	FooDB
Brassica oleracea var. gemmifera	FooDB	PHENOL EXPLORER
Brassica oleracea var. gongylodes	FooDB	PHENOL EXPLORER
Brassica oleracea var. italica	FooDB	PHENOL EXPLORER
Brassica oleracea var. sabauda	FooDB	PHENOL EXPLORER
Brassica oleracea var. viridis	FooDB	USDA
Brassica rapa	FooDB	USDA
Brassica rapa ssp. chinensis	FooDB	PHENOL EXPLORER
Brassica rapa var. pekinensis	FooDB	PHENOL EXPLORER
Brassica rapa var. rapa	FooDB	PHENOL EXPLORER
Brassica ruvo	FooDB	USDA
Brosimum alicastrum	FooDB	FooDB
Broussonetia papyrifera	LOTUS Database	35616633
Brownea ariza	LOTUS Database	35616633
Bryum argenteum	LOTUS Database	35616633
Bryum pseudotriquetrum	LOTUS Database	35616633
Buddleja officinalis	KNApSAcK Database	22123792
Bulbine capitata	KNApSAcK Database	22123792
Byrsonima crassifolia	FooDB	FooDB
Cadia purpurea	KNApSAcK Database	22123792
Cajanus cajan	FooDB	FooDB
Calibrachoa parviflora	LOTUS Database	35616633
Calicotome villosa	LOTUS Database	35616633
Callicarpa nudiflora	LOTUS Database	35616633
Callistephus chinensis	LOTUS Database	35616633
Calophyllum pinetorum	KNApSAcK Database	22123792
Campanula pendula	LOTUS Database	35616633
Campsis grandiflora	KNApSAcK Database	22123792
Canarium ovatum	FooDB	FooDB
Cannabis indica	KNApSAcK Database	22123792
Cannabis inflorescences	KNApSAcK Database	22123792
Cannabis sativa	KNApSAcK Database	22123792
Cantharellus cibarius	FooDB	FooDB
Capparis himalayensis	KNApSAcK Database	22123792
Capparis spinosa	FooDB	FooDB
Capsicum annuum	FooDB	PHENOL EXPLORER
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Caragana spinosa	LOTUS Database	35616633
Carallia brachiata	LOTUS Database	35616633
Carduus nutans	LOTUS Database	35616633
Carduus tenuiflorus	LOTUS Database	35616633
Carica papaya L.	FooDB	USDA
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	FooDB
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	PHENOL EXPLORER
Casearia ilicifolia	KNApSAcK Database	22123792
Cassia javanica	LOTUS Database	35616633
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Celtis australis	LOTUS Database	35616633
Centaurea alexandrina	LOTUS Database	35616633
Centaurea arenaria	LOTUS Database	35616633
Centaurea aspera	LOTUS Database	35616633
Centaurea cineraria	LOTUS Database	35616633
Centaurea collina	LOTUS Database	35616633
Centaurea cyanus	LOTUS Database	35616633
Centaurea horrida	LOTUS Database	35616633
Centaurea kilaea	LOTUS Database	35616633
Centaurea nervosa	LOTUS Database	35616633
Centaurea pallescens	LOTUS Database	35616633
Centaurea pseudomaculosa	LOTUS Database	35616633
Centaurea scoparia	LOTUS Database	35616633
Centaurea tougourensis	LOTUS Database	35616633
Centipeda minima	LOTUS Database	35616633
Cephalotaxus fortunei	KNApSAcK Database	22123792
Cephalotaxus koreana	KNApSAcK Database	22123792
Cephalotaxus sinensis	LOTUS Database	35616633
Cephalotaxus wilsoniana	KNApSAcK Database	22123792
Ceratonia siliqua	FooDB	FooDB
Chaenomeles sinensis	LOTUS Database	35616633
Chamaecyparis pisifera	KNApSAcK Database	22123792
Chamaemelum nobile	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Chamerion angustifolium	FooDB	FooDB
Chamomilla recutina	KNApSAcK Database	22123792
Chamomilla recutita (L.) Rauschert	KNApSAcK Database	22123792
Cheilanthes bullosa	KNApSAcK Database	22123792
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	FooDB
Chiococca alba	LOTUS Database	35616633
Chrozophora tinctoria	LOTUS Database	35616633
Chrysanthemum boreale	KNApSAcK Database	22123792
Chrysanthemum cineraiaefolium	KNApSAcK Database	22123792
Chrysanthemum coronarium	FooDB	FooDB
Chrysanthemum indicum	LOTUS Database	35616633
Chrysanthemum morifolium	LOTUS Database	35616633
Chrysanthemum zawadskii	LOTUS Database	35616633
Chrysothamnus nauseosus	KNApSAcK Database	22123792
Cicer arietinum	FooDB	FooDB
Cicerbita muralis	LOTUS Database	35616633
Cichorium endivia	FooDB	USDA
Cichorium intybus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cinnamomum	FooDB	FooDB
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum kotoense	LOTUS Database	35616633
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	FooDB
Cirsium arvense	LOTUS Database	35616633
Cirsium carolinianum	LOTUS Database	35616633
Cirsium japonicum	LOTUS Database	35616633
Cirsium oleraceum	LOTUS Database	35616633
Cirsium rhinoceros	LOTUS Database	35616633
Cistus incanus	LOTUS Database	35616633
Cistus ladanifer	LOTUS Database	35616633
Cistus laurifolius	LOTUS Database	35616633
Citrullus lanatus	FooDB	PHENOL EXPLORER
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	USDA
Citrus aurantiifolia	FooDB	PHENOL EXPLORER
Citrus latifolia	FooDB	USDA
Citrus limon	FooDB	PHENOL EXPLORER
Citrus maxima	FooDB	PHENOL EXPLORER
Citrus paradisi	FooDB	PHENOL EXPLORER
Citrus reticulata	FooDB	PHENOL EXPLORER
Citrus sinensis	LOTUS Database	35616633
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	PHENOL EXPLORER
Cladogynos orientalis	KNApSAcK Database	22123792
Clerodendrum bungei	LOTUS Database	35616633
Cochlospermum gillivraei	KNApSAcK Database	22123792
Cocos nucifera	FooDB	FooDB
Codonopsis clematidea	LOTUS Database	35616633
Codonopsis ovata	LOTUS Database	35616633
Coffea arabica L.	FooDB	PHENOL EXPLORER
Coffea canephora	FooDB	PHENOL EXPLORER
Colchicum autumnale	LOTUS Database	35616633
Colchicum speciosum	LOTUS Database	35616633
Coleus aromaticus	Plant	KNApSAcK
Colocasia esculenta	FooDB	USDA
Colocasia escultenta	Plant	KNApSAcK
Conyza bonariensis	LOTUS Database	35616633
Corchorus depressus	LOTUS Database	35616633
Corchorus olitorius	FooDB	FooDB
Coriandrum sativum	LOTUS Database	35616633
Coriandrum sativum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Corylus	FooDB	USDA
Corylus avellana	FooDB	PHENOL EXPLORER
Cota altissima	LOTUS Database	35616633
Cota palaestina	LOTUS Database	35616633
Crataegus laevigata	LOTUS Database	35616633
Crataegus monogyna	LOTUS Database	35616633
Crataegus orientalis	LOTUS Database	35616633
Crataegus sanguinea	LOTUS Database	35616633
Crateva religiosa	FooDB	FooDB
Crepidomanes minutum	LOTUS Database	35616633
Crocus sativus	Plant	KNApSAcK
Crotalaria pallida	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Cucubalus baccifer	LOTUS Database	35616633
Cucumis melo	FooDB	PHENOL EXPLORER
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	PHENOL EXPLORER
Cucurbita	FooDB	PHENOL EXPLORER
Cucurbita maxima	FooDB	FooDB
Cucurbita moschata	FooDB	FooDB
Cuminum cyminum	FooDB	PHENOL EXPLORER
Cupressus sempervirens	LOTUS Database	35616633
Curcuma longa	FooDB	FooDB
Cyclotrichium niveum	LOTUS Database	35616633
Cydonia oblonga	FooDB	PHENOL EXPLORER
Cymbopogon citratus	FooDB	FooDB
Cymophyllus fraseri	LOTUS Database	35616633
Cynara cardunculus	FooDB	FooDB
Cynara humilis	LOTUS Database	35616633
Cynara scolymus	FooDB	PHYTOHUB
Cyphostemma digitatum	LOTUS Database	35616633
Cyrtocymura scorpioides	LOTUS Database	35616633
Dalbergia hupeana	LOTUS Database	35616633
Dalbergia lanceolaria	LOTUS Database	35616633
Daphne feddei	LOTUS Database	35616633
Daphne genkwa	LOTUS Database	35616633
Daphne genkwa Sieb.et Zucc.	KNApSAcK Database	22123792
Daphne gnidium	LOTUS Database	35616633
Daphne laureola	LOTUS Database	35616633
Daphne sericea	KNApSAcK Database	22123792
Daphniphyllum angustifolium	LOTUS Database	35616633
Daucus carota	KNApSAcK Database	22123792
Daucus carota ssp. sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Dendranthema lavandulifolium	LOTUS Database	35616633
Dicliptera chinensis	LOTUS Database	35616633
Digitalis ciliata	LOTUS Database	35616633
Digitalis grandiflora	LOTUS Database	35616633
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	FooDB
Dioscorea oppositifolia	LOTUS Database	35616633
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	FooDB
Doronicum macrophyllum	LOTUS Database	35616633
Dracocephalum multicaule	LOTUS Database	35616633
Dubautia arborea	LOTUS Database	35616633
Duhaldea cappa	LOTUS Database	35616633
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Echinop ritro	-	KNApSAcK
Echinops echinatus	LOTUS Database	35616633
Echinops ritro	LOTUS Database	35616633
Eclipta prostrata	LOTUS Database	35616633
Elaeis	FooDB	FooDB
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Elsholtzia bodinieri	KNApSAcK Database	22123792
Elsholtzia ciliata	LOTUS Database	35616633
Elsholtzia rugulosa	LOTUS Database	35616633
Empetrum nigrum	FooDB	FooDB
Enhalus acoroides	KNApSAcK Database	22123792
Entada phaseoloides	LOTUS Database	35616633
Ephedra sinica	KNApSAcK Database	22123792
Epimedium acuminatum	KNApSAcK Database	22123792
Epimedium brevicornum	KNApSAcK Database	22123792
Epimedium davidii	KNApSAcK Database	22123792
Epimedium dolichostemen	KNApSAcK Database	22123792
Epimedium fargesii	KNApSAcK Database	22123792
Epimedium franchetii	KNApSAcK Database	22123792
Epimedium koreanum	KNApSAcK Database	22123792
Epimedium leishanense	KNApSAcK Database	22123792
Epimedium leptorrhizum	KNApSAcK Database	22123792
Epimedium membranaceum	KNApSAcK Database	22123792
Epimedium myrianthum	KNApSAcK Database	22123792
Epimedium pauciflorum	KNApSAcK Database	22123792
Epimedium pubescens	KNApSAcK Database	22123792
Epimedium sagittatum	KNApSAcK Database	22123792
Epimedium stellatum	KNApSAcK Database	22123792
Epimedium wushanense	KNApSAcK Database	22123792
Epimedium zhenbaense	KNApSAcK Database	22123792
Epimedium zhushanense	KNApSAcK Database	22123792
Eragrostis tef	FooDB	FooDB
Eremanthus veadeiroensis	LOTUS Database	35616633
Erica cinerea	LOTUS Database	35616633
Ericameria laricifolia	LOTUS Database	35616633
Erigeron annuus	LOTUS Database	35616633
Erigeron canadensis	LOTUS Database	35616633
Eriobotrya japonica	FooDB	FooDB
Eriodictyon sessilifolium	LOTUS Database	35616633
Eruca vesicaria subsp. Sativa	FooDB	USDA
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	USDA
Euterpe oleracea	LOTUS Database	35616633
Eutrema japonicum	FooDB	FooDB
Evandra aristata	LOTUS Database	35616633
Fagopyrum esculentum	FooDB	USDA
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Farsetia aegyptia	LOTUS Database	35616633
Feijoa sellowiana	FooDB	FooDB
Ficus carica	FooDB	PHENOL EXPLORER
Ficus formosana	KNApSAcK Database	22123792
Ficus hirta	KNApSAcK Database	22123792
Ficus mucuso	LOTUS Database	35616633
Ficus nervosa	LOTUS Database	35616633
Ficus pumila	LOTUS Database	35616633
Ficus subcuneata	LOTUS Database	35616633
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	PHENOL EXPLORER
Fouquieria splendens	LOTUS Database	35616633
Fragaria x ananassa	FooDB	PHENOL EXPLORER
Fumaria capreolata	Plant	KNApSAcK
Fumaria officinalis	Plant	KNApSAcK
Fumaria schleicheri	Plant	KNApSAcK
Fumaria vaillantii	Plant	KNApSAcK
Gaillardia aristata	LOTUS Database	35616633
Gaillardia aristata Pursh.	KNApSAcK Database	22123792
Galeopsis bifida	LOTUS Database	35616633
Garcinia bracteata	KNApSAcK Database	22123792
Garcinia bracteata (nom. inval.)	Plant	KNApSAcK
Garcinia dulcis	KNApSAcK Database	22123792
Garcinia mangostana	FooDB	FooDB
Garcinia multiflora	KNApSAcK Database	22123792
Garcinia neglecta	KNApSAcK Database	22123792
Garcinia nervosa	LOTUS Database	35616633
Gardenia resinifera	LOTUS Database	35616633
Gaylussacia baccata	FooDB	FooDB
Genista ephedroides	KNApSAcK Database	22123792
Gentiana triflora	KNApSAcK Database	22123792
Ginkgo biloba	KNApSAcK Database	22123792
Glandularia bipinnatifida	Plant	KNApSAcK
Glandularia hybrida	LOTUS Database	35616633
Glechoma hederacea	LOTUS Database	35616633
Globularia alypum	LOTUS Database	35616633
Globularia bisnagarica	LOTUS Database	35616633
Glycine max	FooDB	FooDB
Glycyrrhiza uralensis	LOTUS Database	35616633
Gnaphalium affine	KNApSAcK Database	22123792
Gonocaryum calleryanum	LOTUS Database	35616633
Gonospermum ferulaceum	LOTUS Database	35616633
Gossypium	FooDB	FooDB
Goyazianthus tetrastichus	LOTUS Database	35616633
Gratiola officinalis	LOTUS Database	35616633
Grifola frondosa	FooDB	FooDB
Gutierrezia sarothrae	LOTUS Database	35616633
Gymnocarpium robertianum	LOTUS Database	35616633
Halenia elliptica	LOTUS Database	35616633
Halophila johnsonii	KNApSAcK Database	22123792
Halophila stipulacea	KNApSAcK Database	22123792
Haplopteris anguste-elongata	LOTUS Database	35616633
Hazardia squarrosa	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
Hibiscus sabbariffa	FooDB	FooDB
Hippophae rhamnoides	FooDB	FooDB
Holocarpha heermannii	LOTUS Database	35616633
Hordeum vulgare	FooDB	FooDB
Houttuynia cordata	KNApSAcK Database	22123792
Humboldtia laurifolia	LOTUS Database	35616633
Hypericum perforatum	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	PHENOL EXPLORER
Ibicella lutea	KNApSAcK Database	22123792
Ilex leucoclada	LOTUS Database	35616633
Illicium verum	FooDB	FooDB
Indigofera tetrantha	KNApSAcK Database	22123792
Ipomoea aquatica	FooDB	USDA
Ipomoea batatas	FooDB	USDA
Iris pseudacorus	LOTUS Database	35616633
Isocoma acradenia	LOTUS Database	35616633
Isodon oresbius	LOTUS Database	35616633
Isodon phyllostachys	LOTUS Database	35616633
Isoplexis chalcantha	LOTUS Database	35616633
Itea parviflora	LOTUS Database	35616633
Itoa orientalis	LOTUS Database	35616633
Ixeridium laevigatum	LOTUS Database	35616633
Juglans	FooDB	FooDB
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	USDA
Juglans regia	FooDB	PHENOL EXPLORER
Juniperus chinensis	-	KNApSAcK
Juniperus communis	LOTUS Database	35616633
Juniperus sabina	LOTUS Database	35616633
Klasea flavescens	LOTUS Database	35616633
Knautia montana	LOTUS Database	35616633
Kummerowia striata	KNApSAcK Database	22123792
Lablab purpureus	FooDB	FooDB
Lactuca formosana	LOTUS Database	35616633
Lactuca indica	KNApSAcK Database	22123792
Lactuca perennis L.	LOTUS Database	35616633
Lactuca quercina L.	LOTUS Database	35616633
Lactuca sativa	FooDB	PHENOL EXPLORER
Lactuca viminea	LOTUS Database	35616633
Laennecia sophiifolia	Plant	KNApSAcK
Laennecia sophiifolia (Kunth) G.L.Nesom	KNApSAcK Database	22123792
Lagenaria siceraria	FooDB	FooDB
Lagerstroemia indica	LOTUS Database	35616633
Lagochilus leiacanthus	LOTUS Database	35616633
Lagotis yunnanensis	LOTUS Database	35616633
Laguncularia racemosa	LOTUS Database	35616633
Lamyropsis cynaroides	LOTUS Database	35616633
Lantana montevidensis	LOTUS Database	35616633
Larrea divaricata	KNApSAcK Database	22123792
Larrea tridentata	KNApSAcK Database	22123792
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	USDA
Lavandula angustifolia	LOTUS Database	35616633
Lavandula dentata	LOTUS Database	35616633
Lawsonia alba	Plant	KNApSAcK
Layia hieracioides	LOTUS Database	35616633
Leiothrix curvifolia	KNApSAcK Database	22123792
Lens culinaris	FooDB	FooDB
Lentinus edodes	FooDB	FooDB
Leontodon saxatilis	LOTUS Database	35616633
Leonurus japonicus	LOTUS Database	35616633
Lepidium sativum	FooDB	PHENOL EXPLORER
Lespedeza virgata	KNApSAcK Database	22123792
Leucas aspera	KNApSAcK Database	22123792
Leucophyllum ambiguum	KNApSAcK Database	22123792
Levisticum officinale	FooDB	PHENOL EXPLORER
Libocedrus plumosa	LOTUS Database	35616633
Ligustrum japonicum	LOTUS Database	35616633
Ligustrum robustum	LOTUS Database	35616633
Limonium axillare	LOTUS Database	35616633
Limonium bicolor	LOTUS Database	35616633
Limonium sinense	LOTUS Database	35616633
Linaria macroura	LOTUS Database	35616633
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Litchi chinensis	FooDB	FooDB
Livistona australis	LOTUS Database	35616633
Lomelosia caucasica	LOTUS Database	35616633
Lonicera gracilipes var. glandulosa	KNApSAcK Database	22123792
Lonicera japonica	KNApSAcK Database	22123792
Lorandersonia pulchella	LOTUS Database	35616633
Lotus uliginosus	LOTUS Database	35616633
Luetkea pectinata	LOTUS Database	35616633
Luffa aegyptiaca	FooDB	USDA
Lugoa revoluta	LOTUS Database	35616633
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	FooDB
Lupinus luteus	LOTUS Database	35616633
Lychnis flos-cuculi L.	KNApSAcK Database	22123792
Lycopus europaeus	LOTUS Database	35616633
Lycopus lucidus	LOTUS Database	35616633
Lycopus virginicus	LOTUS Database	35616633
Macadamia	FooDB	USDA
Macadamia tetraphylla	FooDB	PHENOL EXPLORER
Maclura pomifera	LOTUS Database	35616633
Macrothelypteris torresiana	LOTUS Database	35616633
Madia sativa	LOTUS Database	35616633
Malpighia emarginata	FooDB	USDA
Malus	FooDB	FooDB
Malus pumila	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mammea americana	FooDB	FooDB
Mangifera indica	KNApSAcK Database	22123792
Manihot esculenta	FooDB	FooDB
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	FooDB
Marchantia polymorpha	LOTUS Database	35616633
Marrubium cylleneum	LOTUS Database	35616633
Marrubium velutinum	LOTUS Database	35616633
Marrubium vulgare	LOTUS Database	35616633
Matricaria chamomilla	LOTUS Database	35616633
Matricaria recutita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Matteuccia struthiopteris	FooDB	FooDB
Medicago arabica	KNApSAcK Database	22123792
Medicago sativa	KNApSAcK Database	22123792
Medicago truncatula	KNApSAcK Database	22123792
Meehania urticifolia	LOTUS Database	35616633
Melanargia galathea	LOTUS Database	35616633
Melandrium album	KNApSAcK Database	22123792
Melissa officinalis L.	FooDB	PHENOL EXPLORER
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mentha aquatica L.	KNApSAcK Database	22123792
Mentha arvensis	FooDB	FooDB
Mentha piperita	LOTUS Database	35616633
Mentha pulegium	KNApSAcK Database	22123792
Mentha spicata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mentha x piperita	KNApSAcK Database	22123792
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Micromeria cristata	LOTUS Database	35616633
Microtoena prainiana	KNApSAcK Database	22123792
Mimosa hostilis	KNApSAcK Database	22123792
Mimosa tenuiflora	LOTUS Database	35616633
Mirabilis viscosa	LOTUS Database	35616633
Mitragyna speciosa	Plant	KNApSAcK
Mnium affine	LOTUS Database	35616633
Molineria capitulata	LOTUS Database	35616633
Momordica charantia	FooDB	FooDB
Moraea sisyrinchium	LOTUS Database	35616633
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Morinda morindoides	LOTUS Database	35616633
Moringa oleifera	Plant	KNApSAcK
Moringa peregrina	Plant	KNApSAcK
Moringa stenopetala	Plant	KNApSAcK
Morus	FooDB	FooDB
Morus nigra	FooDB	USDA
Mosla chinensis	LOTUS Database	35616633
Mosla scabra	LOTUS Database	35616633
Musa acuminata	FooDB	PHENOL EXPLORER
Musa x paradisiaca	FooDB	FooDB
Myoporum tenuifolium	LOTUS Database	35616633
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	FooDB
Nannoglottis ravida	LOTUS Database	35616633
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	FooDB
Nephelium lappaceum	FooDB	FooDB
Newbouldia laevis	KNApSAcK Database	22123792
Notholaena candida	KNApSAcK Database	22123792
Notholaena greggii	LOTUS Database	35616633
Notobasis syriaca	LOTUS Database	35616633
Nuphar lutea	FooDB	FooDB
Nymphaea alba	KNApSAcK Database	22123792
Ocimum americanum L.var.pilosum (Willd.) Paton	KNApSAcK Database	22123792
Ocimum basilicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ocimum kilimandscharicum L.	KNApSAcK Database	22123792
Ocimum minimum L.	KNApSAcK Database	22123792
Ocimum sanctum	KNApSAcK Database	22123792
Ocimum tenuiflorum	Plant	KNApSAcK
Ocimum tenuiflorum L.	KNApSAcK Database	22123792
Ocimum x citriodorum	LOTUS Database	35616633
Ocimum x citriodorum Vis.	KNApSAcK Database	22123792
Odontites luteus	LOTUS Database	35616633
Oenothera biennis	FooDB	FooDB
Olea europaea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oligochaeta divaricata	LOTUS Database	35616633
Omalotheca sylvatica	LOTUS Database	35616633
Onopordum acanthium	KNApSAcK Database	22123792
Onopordum acaulon	LOTUS Database	35616633
Onosma heterophylla	LOTUS Database	35616633
Onosma hispida	KNApSAcK Database	22123792
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum calcaratum	Plant	KNApSAcK
Origanum dictamnus	Plant	KNApSAcK
Origanum floribundum	Plant	KNApSAcK
Origanum majorana	FooDB	PHENOL EXPLORER
Origanum majoricum	Plant	KNApSAcK
Origanum microphyllum	Plant	KNApSAcK
Origanum onites	Plant	KNApSAcK
Origanum syriacum	Plant	KNApSAcK
Origanum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Origanum vulgare subsp. Glandulosum	Plant	KNApSAcK
Origanum vulgare subsp. Hirtum	Plant	KNApSAcK
Origanum X majoricum	FooDB	PHENOL EXPLORER
Ormosia henryi	LOTUS Database	35616633
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	FooDB
Osmanthus fortunei	LOTUS Database	35616633
Osmanthus fragrans	LOTUS Database	35616633
Osmanthus heterophyllus	LOTUS Database	35616633
Oxytropis falcata	LOTUS Database	35616633
Oxytropis ochrocephala	LOTUS Database	35616633
Pachyrhizus erosus	FooDB	FooDB
Pallenis hierochuntica	LOTUS Database	35616633
Panax ginseng	FooDB	FooDB
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	FooDB
Papaver	FooDB	USDA
Paraburkholderia phymatum	-	KNApSAcK
Parkinsonia aculeata	LOTUS Database	35616633
Passiflora edulis	FooDB	FooDB
Passiflora foetida	LOTUS Database	35616633
Passiflora incarnata	LOTUS Database	35616633
Pastinaca sativa	FooDB	PHENOL EXPLORER
Paulownia coreana	LOTUS Database	35616633
Pedicularis longiflora	LOTUS Database	35616633
Pedicularis longiflora var. tubiformis	KNApSAcK Database	22123792
Pedicularis rex	LOTUS Database	35616633
Pediomelum esculentum	FooDB	FooDB
Penstemon serrulatus	LOTUS Database	35616633
Perideridia oregana	FooDB	FooDB
Perilla frutescens	LOTUS Database	35616633
Periploca nigrescens	LOTUS Database	35616633
Persea americana	FooDB	PHENOL EXPLORER
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Petunia hybrida	KNApSAcK Database	22123792
Petunia x hybrida	Plant	KNApSAcK
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phillyrea latifolia	LOTUS Database	35616633
Phlomis bovei	LOTUS Database	35616633
Phlomis herba-venti	LOTUS Database	35616633
Phlomis nissolii	KNApSAcK Database	22123792
Phlomis samia	LOTUS Database	35616633
Phlomoides tuberosa	LOTUS Database	35616633
Phoenix dactylifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phoradendron leucarpum	LOTUS Database	35616633
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	FooDB
Physalis	FooDB	FooDB
Physalis philadelphica var. immaculata	FooDB	FooDB
Physocarpus capitatus	KNApSAcK Database	22123792
Phytolacca americana	FooDB	FooDB
Picea neoveitchii	LOTUS Database	35616633
Picris cyanocarpa	KNApSAcK Database	22123792
Picris hieracioides	LOTUS Database	35616633
Picris kamtschatica	KNApSAcK Database	22123792
Pilosella officinarum	LOTUS Database	35616633
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pinus	FooDB	PHENOL EXPLORER
Pinus armandii	LOTUS Database	35616633
Pinus edulis	FooDB	USDA
Pinus morrisonicola	LOTUS Database	35616633
Pinus sibirica	KNApSAcK Database	22123792
Piper nigrum L.	FooDB	FooDB
Pistacia vera	FooDB	PHENOL EXPLORER
Pisum sativum	FooDB	PHENOL EXPLORER
Plagiomnium ciliare	LOTUS Database	35616633
Plantago albicans	LOTUS Database	35616633
Plantago argentea	Plant	KNApSAcK
Plantago asiatica	LOTUS Database	35616633
Plantago holosteum	Plant	KNApSAcK
Plantago major	KNApSAcK Database	22123792
Plantago maritima	Plant	KNApSAcK
Platycodon grandiflorus	LOTUS Database	35616633
Pleurotus ostreatus	FooDB	FooDB
Podocarpus fasciculus	KNApSAcK Database	22123792
Pogostemon cablin	KNApSAcK Database	22123792
Pogostemon stellatus	LOTUS Database	35616633
Polygonum alpinum	FooDB	FooDB
Polygonum cuspidatum	KNApSAcK Database	22123792
Polylepis incana	LOTUS Database	35616633
Populus balsamifera	LOTUS Database	35616633
Populus deltoides	LOTUS Database	35616633
Populus nigra	LOTUS Database	35616633
Populus tremula	LOTUS Database	35616633
Portulaca oleracea	FooDB	PHENOL EXPLORER
Pourouma guianensis	LOTUS Database	35616633
Pouteria sapota	FooDB	FooDB
Premna fulva	LOTUS Database	35616633
Prostanthera melissifolia	LOTUS Database	35616633
Prunus armeniaca	FooDB	PHENOL EXPLORER
Prunus avium	KNApSAcK Database	22123792
Prunus avium L.	FooDB	USDA
Prunus cerasus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus domestica	FooDB	PHENOL EXPLORER
Prunus dulcis	FooDB	PHENOL EXPLORER
Prunus persica	FooDB	USDA
Prunus persica var. nucipersica	FooDB	USDA
Prunus persica var. persica	FooDB	PHENOL EXPLORER
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Pseudostifftia kingii	LOTUS Database	35616633
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	USDA
Psophocarpus tetragonolobus	FooDB	FooDB
Pteridium aquilinum	LOTUS Database	35616633
Pteris multifida	LOTUS Database	35616633
Pterogyne nitens	LOTUS Database	35616633
Pueraria montana	LOTUS Database	35616633
Punica granatum	KNApSAcK Database	22123792
Pyrrhopappus carolinianus	LOTUS Database	35616633
Pyrus communis	FooDB	PHENOL EXPLORER
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Raphanus sativus	KNApSAcK Database	22123792
Raphanus sativus var. longipinnatus	FooDB	PHENOL EXPLORER
Raphanus sativus var. sativus	FooDB	PHENOL EXPLORER
Relhania corymbosa	LOTUS Database	35616633
Reseda muricata	LOTUS Database	35616633
Reseda muricata C.Presl.	KNApSAcK Database	22123792
Retama raetam	LOTUS Database	35616633
Rhamnus alaternus	Plant	KNApSAcK
Rhamnus davurica	Plant	KNApSAcK
Rhaponticum carthamoides	KNApSAcK Database	22123792
Rheum rhabarbarum	FooDB	FooDB
Rhodiola kirilowii	KNApSAcK Database	22123792
Rhodiola rosea	KNApSAcK Database	22123792
Rhynchosia beddomei	LOTUS Database	35616633
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	PHENOL EXPLORER
Ribes rubrum	FooDB	PHENOL EXPLORER
Ribes uva-crispa	FooDB	PHENOL EXPLORER
Rosa	FooDB	FooDB
Rosa rugosa	LOTUS Database	35616633
Rosmarinus officinalis	KNApSAcK Database	22123792
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	PHENOL EXPLORER
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	FooDB
Rumex	FooDB	USDA
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Rumex dentatus	Plant	KNApSAcK
Rumex vesicarius	Plant	KNApSAcK
Saccharum officinarum	LOTUS Database	35616633
Sagittaria latifolia	FooDB	FooDB
Salix acutifolia	LOTUS Database	35616633
Salix lindleyana	LOTUS Database	35616633
Salix pulchra	FooDB	FooDB
Salvia aegyptiaca	KNApSAcK Database	22123792
Salvia albimaculata	KNApSAcK Database	22123792
Salvia atropatana	LOTUS Database	35616633
Salvia bucharica	LOTUS Database	35616633
Salvia candelabrum	LOTUS Database	35616633
Salvia elegans	FooDB	FooDB
Salvia fruticosa	LOTUS Database	35616633
Salvia glutinosa	KNApSAcK Database	22123792
Salvia hispanica	FooDB	FooDB
Salvia horminum	KNApSAcK Database	22123792
Salvia kopolnovii	KNApSAcK Database	22123792
Salvia lavandulaefolia	KNApSAcK Database	22123792
Salvia lavandulifolia	KNApSAcK Database	22123792
Salvia limbata	KNApSAcK Database	22123792
Salvia mirzayanii	LOTUS Database	35616633
Salvia montbretii	LOTUS Database	35616633
Salvia moorcroftiana	KNApSAcK Database	22123792
Salvia nemorosa	KNApSAcK Database	22123792
Salvia officinalis	KNApSAcK Database	22123792
Salvia palaestina	KNApSAcK Database	22123792
Salvia pedicellata	KNApSAcK Database	22123792
Salvia pinnata	KNApSAcK Database	22123792
Salvia pratensis	KNApSAcK Database	22123792
Salvia rosmarinus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia sahendica	LOTUS Database	35616633
Salvia sclarea	KNApSAcK Database	22123792
Salvia staminea	KNApSAcK Database	22123792
Salvia trijuga	LOTUS Database	35616633
Salvia verbenaca	KNApSAcK Database	22123792
Salvia x sylvestris	LOTUS Database	35616633
Salvia yosgadensis	KNApSAcK Database	22123792
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	FooDB
Santolina chamaecyperissus	KNApSAcK Database	22123792
Santolina pinnata	LOTUS Database	35616633
Sapindus mukorossi	KNApSAcK Database	22123792
Satureja cuneifolia	LOTUS Database	35616633
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Satureja subspicata	KNApSAcK Database	22123792
Saussurea medusa	KNApSAcK Database	22123792
Scapholeberis mucronata	LOTUS Database	35616633
Schnabelia tetradonta	KNApSAcK Database	22123792
Schoenia cassiniana	LOTUS Database	35616633
Scolopia spinosa	LOTUS Database	35616633
Scoparia dulcis	LOTUS Database	35616633
Scorzonera divaricata	KNApSAcK Database	22123792
Scorzonera hispanica	FooDB	FooDB
Scorzonera laciniata	LOTUS Database	35616633
Scutellaria albida	LOTUS Database	35616633
Scutellaria alpina	LOTUS Database	35616633
Scutellaria baicalensis	LOTUS Database	35616633
Scutellaria barbata	KNApSAcK Database	22123792
Scutellaria discolor	LOTUS Database	35616633
Scutellaria galericulata	LOTUS Database	35616633
Scutellaria immaculata	LOTUS Database	35616633
Scutellaria indica	LOTUS Database	35616633
Scutellaria karjagini	KNApSAcK Database	22123792
Scutellaria orientalis	KNApSAcK Database	22123792
Scutellaria ovata	LOTUS Database	35616633
Scutellaria strigillosa	KNApSAcK Database	22123792
Secale cereale	FooDB	FooDB
Sechium edule	FooDB	FooDB
Selaginella tamariscina	-	KNApSAcK
Senna didymobotrya	LOTUS Database	35616633
Senna italica	LOTUS Database	35616633
Serratula coronata	LOTUS Database	35616633
Serratula tinctoria	LOTUS Database	35616633
Sesamum indicum	FooDB	FooDB
Sesbania bispinosa	FooDB	FooDB
Sida galheirensis	Plant	KNApSAcK
Sideritis argosphacelus var. spicata	KNApSAcK Database	22123792
Sideritis cretica	LOTUS Database	35616633
Sideritis leucantha	LOTUS Database	35616633
Sideritis raeseri	LOTUS Database	35616633
Sideritis taurica	LOTUS Database	35616633
Silene saxatilis	LOTUS Database	35616633
Silybum marianum	LOTUS Database	35616633
Sinapis alba	FooDB	FooDB
Sinningia cardinalis	LOTUS Database	35616633
Sisymbrium	FooDB	FooDB
Smilax perfoliata	LOTUS Database	35616633
Solanum lycopersicum	FooDB	USDA
Solanum lycopersicum var. cerasiforme	FooDB	PHENOL EXPLORER
Solanum lycopersicum var. lycopersicum	FooDB	PHENOL EXPLORER
Solanum melongena	FooDB	USDA
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	FooDB	PHENOL EXPLORER
Sonchus arvensis	KNApSAcK Database	22123792
Sonchus asper	LOTUS Database	35616633
Sophora secundiflora	LOTUS Database	35616633
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	USDA
Sphagneticola trilobata	LOTUS Database	35616633
Spinacia oleracea	FooDB	PHENOL EXPLORER
Spiraea hypericifolia	KNApSAcK Database	22123792
Stachys aegyptiaca	LOTUS Database	35616633
Stachys ocymastrum	LOTUS Database	35616633
Stellaria media	Plant	KNApSAcK
Stevia rebaudiana	Plant	KNApSAcK
Striga asiatica	LOTUS Database	35616633
Striga gesnerioides	LOTUS Database	35616633
Strobilanthes crispus	Plant	KNApSAcK
Swertia tetrapetala	LOTUS Database	35616633
Symphyotrichum eatonii	LOTUS Database	35616633
Symphyotrichum subulatum	LOTUS Database	35616633
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	FooDB
Tamarix dioica	LOTUS Database	35616633
Tanacetum parthenium	LOTUS Database	35616633
Tanacetum parthenium (L.) Schulz Bip.	KNApSAcK Database	22123792
Tanacetum vulgare	LOTUS Database	35616633
Tanacetum vulgare L.	KNApSAcK Database	22123792
Taraxacum officinale	KNApSAcK Database	22123792
Taxodium distichum	LOTUS Database	35616633
Taxus chinensis	KNApSAcK Database	22123792
Taxus fuana	KNApSAcK Database	22123792
Taxus media	LOTUS Database	35616633
Taxus wallichiana var. yunnanensis	Plant	KNApSAcK
Taxus yunnanensis	KNApSAcK Database	22123792
Tetragonia tetragonioides	FooDB	USDA
Teucrium chamaedrys	LOTUS Database	35616633
Teucrium divaricatum	LOTUS Database	35616633
Teucrium japonicum	LOTUS Database	35616633
Teucrium polium	LOTUS Database	35616633
Thalassia testudinum	KNApSAcK Database	22123792
Thelesperma	FooDB	FooDB
Theobroma cacao	Plant	KNApSAcK
Theobroma cacao L.	KNApSAcK Database	22123792
Thymus capitatus	Plant	KNApSAcK
Thymus comosus	Plant	KNApSAcK
Thymus herba-barona	LOTUS Database	35616633
Thymus numidicus	Plant	KNApSAcK
Thymus pulegioides	FooDB	FooDB
Thymus serpyllum	KNApSAcK Database	22123792
Thymus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Tilia tomentosa	LOTUS Database	35616633
Tinospora crispa	Plant	KNApSAcK
Trachelospermum jasminoides	LOTUS Database	35616633
Tragopogon porrifolius	FooDB	FooDB
Tragopogon pratensis	LOTUS Database	35616633
Trifolium pratense	Plant	KNApSAcK
Trigonella foenum-graecum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Triticum	FooDB	FooDB
Triticum aestivum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Triticum durum	FooDB	FooDB
Triticum spelta	FooDB	FooDB
Triticum turanicum	FooDB	FooDB
Trypanosoma brucei	LOTUS Database	35616633
Turnera aphrodisiaca	Plant	KNApSAcK
Turnera diffusa	Plant	KNApSAcK
Turnera subulata	Plant	KNApSAcK
Turnera ulmifolia	Plant	KNApSAcK
Typha angustifolia	FooDB	FooDB
Vaccinium	FooDB	USDA
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	USDA
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	FooDB
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
Vachellia tortilis	LOTUS Database	35616633
Valeriana amurensis	LOTUS Database	35616633
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Verbascum lychnitis	KNApSAcK Database	22123792
Verbascum phlomoides	LOTUS Database	35616633
Verbascum songaricum	LOTUS Database	35616633
Verbena hybrida	Plant	KNApSAcK
Verbena officinalis	Plant	KNApSAcK
Vernonanthura nudiflora	LOTUS Database	35616633
Veronica chamaedrys	Plant	KNApSAcK
Veronica officinalis	Plant	KNApSAcK
Veronica orchidea	Plant	KNApSAcK
Veronica spicata	KNApSAcK Database	22123792
Veronica spuria	LOTUS Database	35616633
Veronica teucrium	Plant	KNApSAcK
Viburnum coriaceum	LOTUS Database	35616633
Viburnum cylindricum	LOTUS Database	35616633
Viburnum edule	FooDB	FooDB
Vicia faba	KNApSAcK Database	22123792
Vicia sativa	LOTUS Database	35616633
Vicia subvillosa	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	USDA
Viola arvensis	LOTUS Database	35616633
Vitex agnus-castus	LOTUS Database	35616633
Vitis	FooDB	USDA
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	PHENOL EXPLORER
Vittaria anguste-elongata	KNApSAcK Database	22123792
Volkameria inermis	LOTUS Database	35616633
Volutaria crupinoides	LOTUS Database	35616633
Wikstroemia canescens	LOTUS Database	35616633
Xanthosoma sagittifolium	FooDB	FooDB
Xiphidium caeruleum	KNApSAcK Database	22123792
Zea mays	KNApSAcK Database	22123792
Zea mays L.	Plant	KNApSAcK
Zingiber officinale	FooDB	FooDB
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphora clinopodioides	LOTUS Database	35616633
Ziziphora tenuior	LOTUS Database	35616633
Ziziphus zizyphus	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavones

Alternative Parents

Substituents

4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

trihydroxyflavone (CHEBI:18388 )
flavones (C01477 )
Flavones and Flavonols (C01477 )
Flavones and Flavonols (LMPK12110005 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	303.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	555.50 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	182.5 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	3.020	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	3.07	ALOGPS
logP	2.71	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.57	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	72.91 m³·mol⁻¹	ChemAxon
Polarizability	26.78 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0002124

DrugBank ID

DB07352

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Apigenin

METLIN ID

3397

PubChem Compound

5280443

PDB ID

Not Available

ChEBI ID

18388

Good Scents ID

rw1108801

References

General References

Balasubramanian S, Zhu L, Eckert RL: Apigenin inhibition of involucrin gene expression is associated with a specific reduction in phosphorylation of protein kinase Cdelta Tyr311. J Biol Chem. 2006 Nov 24;281(47):36162-72. doi: 10.1074/jbc.M605368200. Epub 2006 Sep 18. [PubMed:16982614 ]
Vargo MA, Voss OH, Poustka F, Cardounel AJ, Grotewold E, Doseff AI: Apigenin-induced-apoptosis is mediated by the activation of PKCdelta and caspases in leukemia cells. Biochem Pharmacol. 2006 Sep 14;72(6):681-92. doi: 10.1016/j.bcp.2006.06.010. Epub 2006 Jul 17. [PubMed:16844095 ]
Horinaka M, Yoshida T, Shiraishi T, Nakata S, Wakada M, Sakai T: The dietary flavonoid apigenin sensitizes malignant tumor cells to tumor necrosis factor-related apoptosis-inducing ligand. Mol Cancer Ther. 2006 Apr;5(4):945-51. doi: 10.1158/1535-7163.MCT-05-0431. [PubMed:16648565 ]
Man MQ, Hupe M, Sun R, Man G, Mauro TM, Elias PM: Topical apigenin alleviates cutaneous inflammation in murine models. Evid Based Complement Alternat Med. 2012;2012:912028. doi: 10.1155/2012/912028. Epub 2012 Nov 19. [PubMed:23304222 ]

Showing NP-Card for Apigenin (NP0043837)

MOL for NP0043837 (Apigenin)

3D MOL for NP0043837 (Apigenin)

3D SDF for NP0043837 (Apigenin)

3D-SDF for NP0043837 (Apigenin)

PDB for NP0043837 (Apigenin)

3D PDB for NP0043837 (Apigenin)

SMILES for NP0043837 (Apigenin)

INCHI for NP0043837 (Apigenin)

Structure for NP0043837 (Apigenin)

3D Structure for NP0043837 (Apigenin)