Structure Information
Structure

Compound Identification

SMILES

CSCC[C@H](NC(=O)C1=C(CCC2=CC=C(F)C=C2)C=CC(=C1)C(NCCN1C=CN=C1)C1=CC=C(F)C=C1)C(=O)OC(C)C

InChIKey

InChIKey=DPCWIDJYRNAFBF-JEFWXSHNSA-N

Formula

C35H40F2N4O3S

Mass

634.79

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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 heteromonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Methionine or derivatives - Stilbene - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Imidazolyl carboxylic acid derivative - Benzoyl - Halobenzene - Fluorobenzene - Fatty acid ester - Aralkylamine - Fatty acyl - Aryl fluoride - N-substituted imidazole - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic 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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