Summary

IMPPAT Phytochemical identifier: IMPHY004939

Phytochemical name: 7,3',4'-Trihydroxyflavone

Synonymous chemical names:
3,4’,7-trihydroxyflavone, 7,3',4'-trihydroxyflavone, flavone, 3',4',7-trihydroxy, flavone, 7,3' 4'-trihydroxy, flavone, 7,3',4-trihydroxy

External chemical identifiers:
CID:5322065, ChEMBL:CHEMBL301624, ZINC:ZINC000006092199, SureChEMBL:SCHEMBL34405, MolPort-004-955-148

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

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

InChIKey:
PVFGJHYLIHMCQD-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O)))cccccc6)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: 1.136

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Chemical structure download