Summary

IMPPAT Phytochemical identifier: IMPHY004841

Phytochemical name: 7,3',4'-Trihydroxy-3,8-dimethoxyflavone

Synonymous chemical names:
7,3,4-trihydroxy-3,8-dimethoxyflavone

External chemical identifiers:
CID:44258704, ChEBI:69452, ZINC:ZINC000014644621

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Chemical structure information

SMILES:
COc1c(oc2c(c1=O)ccc(c2OC)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C17H14O7/c1-22-16-11(19)6-4-9-13(21)17(23-2)14(24-15(9)16)8-3-5-10(18)12(20)7-8/h3-7,18-20H,1-2H3

InChIKey:
LLXQONIKJLTKCF-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cccc6OC)))O)))))))cccccc6)O))O

Functional groups:
c=O, cO, cOC, 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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.26

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Chemical structure download