4',5,6,7,8-Pentahydroxy-3'-methoxyflavone

Details

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Internal ID d908941a-bef0-40ec-a07b-801285b84c4b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
IUPAC Name 5,6,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H12O8/c1-23-10-4-6(2-3-7(10)17)9-5-8(18)11-12(19)13(20)14(21)15(22)16(11)24-9/h2-5,17,19-22H,1H3
InChI Key AHVKPVAYXFJAFV-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O8
Molecular Weight 332.26 g/mol
Exact Mass 332.05321734 g/mol
Topological Polar Surface Area (TPSA) 137.00 Ų
XlogP 1.90

Synonyms

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Annagenin
CHEBI:175234
DTXSID701149234
181020-34-8
5,6,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
5,6,7,8-Tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

2D Structure

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2D Structure of 4',5,6,7,8-Pentahydroxy-3'-methoxyflavone

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.19% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 97.44% 94.00%
CHEMBL2581 P07339 Cathepsin D 95.73% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.48% 99.15%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 93.03% 98.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.68% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.99% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.69% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.76% 89.00%
CHEMBL3194 P02766 Transthyretin 88.44% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.58% 99.17%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.76% 86.92%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.99% 95.50%
CHEMBL3401 O75469 Pregnane X receptor 81.91% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.76% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.30% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.89% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Artemisia dracunculus

Cross-Links

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PubChem 12146897
LOTUS LTS0052026
wikiData Q104392806