Summary

IMPPAT Phytochemical identifier: IMPHY004637

Phytochemical name: 2'-Hydroxydaidzein

Synonymous chemical names:
2'-hydroxydaidzein, 2,4,7-trihydroxyisoflavone

External chemical identifiers:
CID:5280520, ChEMBL:CHEMBL6694, ChEBI:27479, ZINC:ZINC000006525252, FDASRS:4GQ94T5E87, SureChEMBL:SCHEMBL72610, MolPort-035-683-188

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Chemical structure information

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

InChI:
InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H

InChIKey:
ZCTNPCRBEWXCGP-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))ccoccc6=O))cccc6)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: 1.109

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Chemical structure download