Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)C2=CC=C(NC(=O)CSC3=NC4=CC=CC=C4N3)C=C2)=C1

InChIKey

InChIKey=KUWCIKUEXVTDDX-WUXMJOGZSA-N

Formula

C25H21N3O4S

Mass

459.52

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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 heteropolycyclic compounds

Substituents

Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Benzimidazole - Anilide - Phenol ether - Methoxybenzene - Phenoxy compound - Styrene - Aryl ketone - Aryl thioether - N-arylamide - Benzoyl - Anisole - Alkylarylthioether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Azole - Imidazole - Acryloyl-group - Carboxamide group - Secondary carboxylic acid amide - Ketone - Ether - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic 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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