Summary

IMPPAT Phytochemical identifier: IMPHY003312

Phytochemical name: Dihydrodaidzein

Synonymous chemical names:
dihydrodaidzein

External chemical identifiers:
CID:176907, ChEBI:75842, SureChEMBL:SCHEMBL16152440, MolPort-003-846-731

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Chemical structure information

SMILES:
Oc1ccc(cc1)C1COc2c(C1=O)ccc(c2)O

InChI:
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2

InChIKey:
JHYXBPPMXZIHKG-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCOccC6=O))cccc6)O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OCC1c1ccccc1

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: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 1.33

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Chemical structure download