Summary

IMPPAT Phytochemical identifier: IMPHY004566

Phytochemical name: Daidzein

Synonymous chemical names:
4,7-dihydroxyisoflavone, daidzein, diadzein

External chemical identifiers:
CID:5281708, ChEMBL:CHEMBL8145, ChEBI:28197, ZINC:ZINC000018847034, FDASRS:6287WC5J2L, SureChEMBL:SCHEMBL19814, MolPort-000-003-017

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

InChIKey:
ZQSIJRDFPHDXIC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))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: 0.83

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Chemical structure download