Structure Information
Structure

Compound Identification

SMILES

CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)C(=O)O1

InChIKey

InChIKey=MYXACKZCYFKMTE-JETRDCLMSA-N

Formula

C31H33F3N2O5S

Mass

602.67

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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 - Pyridine-2-sulfonamide - Sulfanilide - Phenylpropane - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - 1,3-dicarbonyl compound - Organosulfonic acid amide - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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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