Summary

IMPPAT Phytochemical identifier: IMPHY009253

Phytochemical name: Ougenin

Synonymous chemical names:
ougenin, ougenin(5,2',4'-trihydroxy-7-methoxy-6-methyl-isoflavanone)

External chemical identifiers:
CID:44257391

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Chemical structure information

SMILES:
COc1cc2OCC(C(=O)c2c(c1C)O)c1ccc(cc1O)O

InChI:
InChI=1S/C17H16O6/c1-8-13(22-2)6-14-15(16(8)20)17(21)11(7-23-14)10-4-3-9(18)5-12(10)19/h3-6,11,18-20H,7H2,1-2H3

InChIKey:
PGEJLQOKKPXIBE-UHFFFAOYSA-N

DeepSMILES:
COcccOCCC=O)c6cc%10C))O))))cccccc6O)))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OCC1c1ccccc1

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 1.985

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Chemical structure download