Structure Information
Structure

Compound Identification

SMILES

OC1C(CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=CC=CC=C3S1)C=C2

InChIKey

InChIKey=LCAPWOOVIYFGCH-UHFFFAOYSA-N

Formula

C25H21NO5S

Mass

447.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Homoisoflavonoids

Subclass

Homoisoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Homoisoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Homoisoflavan - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - 1,3-benzothiazole - Phenol ether - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as homoisoflavans. These are homoisoflavonoids with a structure based on the chromane system. Chromone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran.

External Descriptors

Not available

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