Summary

IMPPAT Phytochemical identifier: IMPHY006448

Phytochemical name: 7,3',4',5'-Tetrahydroxyflavone

Synonymous chemical names:
3',4',5,7-tetrahydroxyflavone

External chemical identifiers:
CID:5393164, ChEMBL:CHEMBL398328, ZINC:ZINC000017887543, SureChEMBL:SCHEMBL158519, MolPort-004-960-045

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(cc2=O)c1cc(O)c(c(c1)O)O

InChI:
InChI=1S/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H

InChIKey:
CCCIGFPBADVTFE-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O)))cccO)ccc6)O))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.209

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Chemical structure download