Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)[C@@H]1[C@H](S2)C2=CC=CC=C2OC1=O

InChIKey

InChIKey=RGCKVUBSZOMTID-HUUCEWRRSA-N

Formula

C16H12O3S

Mass

284.33

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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

Isoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.

External Descriptors

Not available

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