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=QRTCQCXMBPEKPP-UEDJNFDESA-N

Formula

C31H35F3N2O5S

Mass

604.69

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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 - Oxane - Monocyclic benzene moiety - Benzenoid - Pyridine - Organosulfonic acid amide - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Alkyl fluoride - Alcohol - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Organic oxide - 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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