Summary

IMPPAT Phytochemical identifier: IMPHY004782

Phytochemical name: 5,6,8,3',4',5'-Hexamethoxyflavone

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

External chemical identifiers:
CID:44257604

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Chemical structure information

SMILES:
COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)c(OC)cc(c2OC)OC

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

InChIKey:
YSFDTCPVUDPZGB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OC))))ccc=O)cco6)cOC))ccc6OC)))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: 0.796

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Chemical structure download