Summary

IMPPAT Phytochemical identifier: IMPHY004070

Phytochemical name: 4'-Hydroxy-5,6,7,8-tetramethoxyflavone

Synonymous chemical names:
4'-methylisoliquiritigenin, flavone, 4'-hydroxy-5,6,7,8-tetramethoxy

External chemical identifiers:
CID:3010100, ChEMBL:CHEMBL479077, ChEBI:175602, ZINC:ZINC000014645384, FDASRS:5VK8D4E73X, SureChEMBL:SCHEMBL2622796

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Chemical structure information

SMILES:
COc1c(OC)c2oc(cc(=O)c2c(c1OC)OC)c1ccc(cc1)O

InChI:
InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3

InChIKey:
IECRXMSGDFIOEY-UHFFFAOYSA-N

DeepSMILES:
COccOC))coccc=O)c6cc%10OC)))OC))))))cccccc6))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: 1.133

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Chemical structure download