Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=QFJAHHNMKTWTGZ-LOWBJLHGSA-N

Formula

C35H36ClNO4S

Mass

602.19

Export to:

JSON SDF CSV

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

Previous Back Next