Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1(CS[C@H](CCC2=CC=CC=C2[C@](C)(O)CO)C2=CC=CC(\C=C\C3=NC4=C(C=CC(Cl)=C4)C=C3)=C2)CC1

InChIKey

InChIKey=JJFSLYVCAWRHEX-DLWRZTCDSA-N

Formula

C36H38ClNO4S

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 - Haloquinoline - Chloroquinoline - Quinoline - Styrene - Fatty acid ester - Aryl chloride - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Carboxylic acid ester - 1,2-diol - Thioether - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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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