Summary

IMPPAT Phytochemical identifier: IMPHY010592

Phytochemical name: 7,4'-Dihydroxyflavone

Synonymous chemical names:
7,4' -dihydroxyflavone, 7,4'-dihydroxyflavone, 74-dihydroxyflavone, flavone, 4',7-dihydroxy

External chemical identifiers:
CID:5282073, ChEMBL:CHEMBL294878, ChEBI:29503, ZINC:ZINC000000057658, FDASRS:53ZZF57X0U, SureChEMBL:SCHEMBL157723, MolPort-003-665-797

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2)O

InChI:
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H

InChIKey:
LCAWNFIFMLXZPQ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6))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: 0.847

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Chemical structure download