Summary

IMPPAT Phytochemical identifier: IMPHY009035

Phytochemical name: Formononetin

Synonymous chemical names:
7-hydroxy-4'-methoxyisoflavone, biochanin b, formononetin

External chemical identifiers:
CID:5280378, ChEMBL:CHEMBL242341, ChEBI:18088, ZINC:ZINC000018847036, FDASRS:295DQC67BJ, SureChEMBL:SCHEMBL62915, MolPort-000-450-946

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Chemical structure information

SMILES:
COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3

InChIKey:
HKQYGTCOTHHOMP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccoccc6=O))cccc6)O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

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: Isoflavones

NP-Likeness score: 0.668

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Chemical structure download