Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)CC[C@H](NC(=O)C1=C(C=C(C=C(CN2C=CN=C2)C2=CC=C(F)C=C2)C=C1)C1=CC=C(F)C=C1)C(O)=O

InChIKey

InChIKey=IEXQXPUHDFJTHV-NDEPHWFRSA-N

Formula

C30H27F2N3O5S

Mass

579.62

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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 - Stilbene - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Styrene - Imidazolyl carboxylic acid derivative - Thia fatty acid - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - N-substituted imidazole - Fatty acyl - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organooxygen compound - 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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