Summary

IMPPAT Phytochemical identifier: IMPHY014079

Phytochemical name: 5,7-Dihydroxy-3',4'-dimethoxyflavone

Synonymous chemical names:
luteolin-3',4'-dimethyl ether

External chemical identifiers:
CID:5351234, ChEMBL:CHEMBL76426, ZINC:ZINC000006018693, FDASRS:3FHI2X224O, SureChEMBL:SCHEMBL2483636, MolPort-046-683-310

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Chemical structure information

SMILES:
COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(cc2O)O

InChI:
InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3

InChIKey:
AOLOMULCAJQEIG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))ccc=O)cco6)cccc6O)))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: Flavones

NP-Likeness score: 1.105

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Chemical structure download