Summary

IMPPAT Phytochemical identifier: IMPHY003465

Phytochemical name: 2'-Hydroxy-2,3-dihydrodaidzein

Synonymous chemical names:
2'-hydroxydihydrodaidzein

External chemical identifiers:
CID:440047, ChEBI:16035

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)C1COc2c(C1=O)ccc(c2)O

InChI:
InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2

InChIKey:
WBOWBLGZAXVREM-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))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: 1.704

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Chemical structure download