Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)C(SC1=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1)=C1SC2=C(C=CC(C)=C2)N1CCOC(=O)C1=CC=C(C=C1)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChIKey

InChIKey=UYEFRXMOKGWQPE-UHFFFAOYSA-N

Formula

C42H29Cl6N5O5S2

Mass

960.54

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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

Retro-dihydrochalcones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retro-dihydrochalcone - Butyrophenone - Benzoate ester - Benzoic acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzoyl - Aryl ketone - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Acryloyl-group - Azole - Heteroaromatic compound - Vinylogous amide - Enone - Thiazole - Ketone - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alkyl chloride - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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