Summary

IMPPAT Phytochemical identifier: IMPHY010033

Phytochemical name: 5,6,7,3'-Tetramethoxy-4'-hydroxyflavone

Synonymous chemical names:
5,6,7,3'-tetramethoxy-4'-hydroxyflavone(ageconyflavone b), ageconyflavone b, ageconyflavone b(5,6,7,3'-tetramethoxy-4'-hydroxyflavone)

External chemical identifiers:
CID:11574015, ChEMBL:CHEMBL3741744, ZINC:ZINC000014644870, SureChEMBL:SCHEMBL10031342

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)OC)c1ccc(c(c1)OC)O

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

InChIKey:
DTWRFKKTAKDLCF-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))OC))))))cccccc6)OC)))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: 1.099

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Chemical structure download