Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)S(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1

InChIKey

InChIKey=CTJBJBSYXZMEQK-UMSFTDKQSA-N

Formula

C37H42N2O5S

Mass

626.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Alpha-amino acid amide - Phenylbutylamine - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Benzenesulfonamide - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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