Summary

IMPPAT Phytochemical identifier: IMPHY005581

Phytochemical name: 2'-Hydroxygenistein

Synonymous chemical names:
2'-hydroxy-genistein, 2'-hydroxygenistein, 2-hydroxygenistein, 2’-hydroxygenistein

External chemical identifiers:
CID:5282074, ChEMBL:CHEMBL6665, ChEBI:70031, ZINC:ZINC000006525249, FDASRS:1R3U5726T2, SureChEMBL:SCHEMBL73356, MolPort-001-742-684

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)c1coc2c(c1=O)c(O)cc(c2)O

InChI:
InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H

InChIKey:
GSSOWCUOWLMMRJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))ccoccc6=O))cO)ccc6)O

Functional groups:
c=O, cO, 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: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.516

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Chemical structure download