Summary

IMPPAT Phytochemical identifier: IMPHY004769

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

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

External chemical identifiers:
CID:44258653, ZINC:ZINC000015271847

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC

InChI:
InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)16(13)23)12-9-11(22)15-17(26-3)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3

InChIKey:
FBAFEXJDBWVSTQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC))))ccc=O)cco6)cOC))ccc6OC)))OC)))OC

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: 1.085

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Chemical structure download