Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(COC2=C(C1)C=CC(O)=C2)C1=CC=C(O)C=C1

InChIKey

InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N

Formula

C15H14O3

Mass

242.274

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavanols

Alternative Parents

Hydroxyisoflavonoids 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hydroxyisoflavonoid - Isoflavanol - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.

External Descriptors

CHEBI:34741 : hydroxyisoflavans
KEGG (C14131) : isoflavans - Isoflavanes

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