Summary

IMPPAT Phytochemical identifier: IMPHY010620

Phytochemical name: 3,3',4',5,6,7,8-Heptamethoxyflavone

Synonymous chemical names:
3,3',4,5,6,7,8-heptamethoxy-flavone, 3,5,6,7,8,3',4'-heptamethoxyflavone, flavone,3,5,6,7,8,3'.4'-heptamethoxy

External chemical identifiers:
CID:150893, ChEMBL:CHEMBL77993, ChEBI:176100, ZINC:ZINC000001614080, FDASRS:288R4CAV1V, SureChEMBL:SCHEMBL1764676, MolPort-005-945-033

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Chemical structure information

SMILES:
COc1cc(ccc1OC)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)OC)OC

InChI:
InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3

InChIKey:
SSXJHQZOHUYEGD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))))coccOC))cOC))ccc6c=O)c%10OC)))))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: Flavonols

NP-Likeness score: 0.918

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Chemical structure download