Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C1=CC=CC(C(=O)C3=C(O)C(=CC(Cl)=C3)C(=O)C3=CC=CC=C3O)=C1O)C2=O)C(O)=O

InChIKey

InChIKey=OPKLBCFVFIJTMW-YKGWIAGDSA-N

Formula

C31H23ClN2O11S

Mass

667.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Benzophenone - N-acyl-alpha amino acid or derivatives - Aryl-phenylketone - Diphenylmethane - Alpha-amino acid or derivatives - Salicylamide - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Cephem - Aryl ketone - 4-halophenol - 4-chlorophenol - Benzoyl - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Phenol - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous acid - Tertiary carboxylic acid amide - Beta-lactam - Lactam - Ketone - Azetidine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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