Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(CCC2=NC3=C(SC=C3Cl)C=C2)=C1

InChIKey

InChIKey=PLMLMEOATVJITD-LNLSOMNWSA-M

Formula

C33H35ClNNaO3S2

Mass

616.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Linear 1,3-diarylpropanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,3-diarylpropanoid - Phenylpropane - Thienopyridine - Hydroxy fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Thiophene - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Thioether - Dialkylthioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic sodium salt - Organic salt - Organic oxide - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.

External Descriptors

Not available

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