Structure Information
Structure

Compound Identification

SMILES

NCC1=CC=CC=C1.CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC(O)=O)CC1)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1

InChIKey

InChIKey=ICBMMWSPDPPRHQ-HKHDRNBDSA-N

Formula

C42H45ClN2O3S

Mass

693.34

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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

Not available

Substituents

Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenylpropane - Benzylamine - Phenylmethylamine - Styrene - Hydroxy fatty acid - Thia fatty acid - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Dialkylthioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Primary aliphatic amine - Organic oxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - 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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