Structure Information
Structure

Compound Identification

SMILES

COC1=C(CSCC(O)=O)C=C(C=C1)C(=O)\C=C\C1=CC=C(NC(C)=O)C=C1

InChIKey

InChIKey=IHEJYTNIXKIVCU-WEVVVXLNSA-N

Formula

C21H21NO5S

Mass

399.46

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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 homomonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Acetanilide - N-acetylarylamine - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Aryl ketone - N-arylamide - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Acetamide - Enone - Alpha,beta-unsaturated ketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic 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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