Summary

IMPPAT Phytochemical identifier: IMPHY005285

Phytochemical name: 5,6,7,3',4',5'-Hexamethoxyflavone

Synonymous chemical names:
3',4',5,6,7,8-hexamethoxyflavone, flavone, 5,6,7,3',4',5' -hexamethoxy, flavone,5,6,7,3',4',5'-hexamethoxy

External chemical identifiers:
CID:185670, ChEMBL:CHEMBL370963, ZINC:ZINC000002566199, SureChEMBL:SCHEMBL1765114, MolPort-009-754-984

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Chemical structure information

SMILES:
COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC

InChI:
InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3

InChIKey:
DYDFNKUHYXHWFM-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6OC))))ccc=O)cco6)cccc6OC)))OC)))OC

Functional groups:
c=O, 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: 0.813

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Chemical structure download