Structure Information
Structure

Compound Identification

SMILES

COC1=C(\C=C\C(=O)C2=CC=C(C=C2)C(O)=O)C=C(C=C1)C1=CC=CS1

InChIKey

InChIKey=PEJUBFZKPIPGRC-CSKARUKUSA-N

Formula

C21H16O4S

Mass

364.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Enone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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