Summary

IMPPAT Phytochemical identifier: IMPHY000137

Phytochemical name: Auranetin

Synonymous chemical names:
3,6,7,8,4'-pentamethoxyflavone, auranetin

External chemical identifiers:
CID:10643, ChEBI:175776, ZINC:ZINC000002036726, FDASRS:6532ZBU2J5

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Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2c(OC)c(OC)c(cc2c(=O)c1OC)OC

InChI:
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3

InChIKey:
DGNOHOXRWCCDLK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))coccOC))cOC))ccc6c=O)c%10OC))))))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: 0.642

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Chemical structure download