Summary

IMPPAT Phytochemical identifier: IMPHY014107

Phytochemical name: 2'-Methoxyformonetin

Synonymous chemical names:
2'-methoxyformononetin

External chemical identifiers:
CID:5781145, ChEMBL:CHEMBL1087126, SureChEMBL:SCHEMBL234355

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Chemical structure information

SMILES:
COc1cc(OC)ccc1c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C17H14O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-9,18H,1-2H3

InChIKey:
SSRCYGATNWFTBJ-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6ccoccc6=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: 0.717

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Chemical structure download