Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C(=O)[C@H]1[C@H](O2)C(C)(C)SC2=CC=CC=C12

InChIKey

InChIKey=WIHMUPHHSCJAEM-WMZOPIPTSA-N

Formula

C19H18O3S

Mass

326.41

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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

Isoflavanones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanone - Chromone - Chromane - Benzopyran - Thiochromane - 1-benzopyran - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Phenol ether - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Thiopyran - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.

External Descriptors

Not available

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