Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(CSC(CCC1=CC=CC=C1C(C)(C)O)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1)C([O-])=O

InChIKey

InChIKey=YAUWRJHJSUEACY-UHFFFAOYSA-M

Formula

C32H33ClNNaO4S

Mass

586.12

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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 - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Organosulfur compound - Organic oxide - Carbonyl group - Organic sodium salt - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic alcohol - Organic oxygen compound - 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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