Structure Information
Structure

Compound Identification

SMILES

COCOCC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC(O)=O)CC1)C1=CC=CC(C=CC2=NC3=C(C=CC(Cl)=C3)C=C2)=C1

InChIKey

InChIKey=GDWHPGYYQWDPST-HTDABEBESA-N

Formula

C37H40ClNO5S

Mass

646.24

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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 - Hydroxy fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Tertiary alcohol - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Acetal - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Alcohol - Organopnictogen compound - Organic oxide - Aromatic alcohol - 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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