Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC([O-])=O)CC1)C1=CC=CC(\C=C\C2=NC=CS2)=C1

InChIKey

InChIKey=RNVPFEVEZKLHSO-KEJSSAEHSA-M

Formula

C29H32NNaO3S2

Mass

529.69

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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 heteromonocyclic compounds

Substituents

Linear 1,3-diarylpropanoid - Phenylpropane - Styrene - Hydroxy fatty acid - Thia fatty acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Tertiary alcohol - Thiazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic sodium salt - Alcohol - Organic salt - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic 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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