Structure Information
Structure

Compound Identification

SMILES

[2H]C([2H])(C)C([2H])([2H])[C@@]1(CCC2=CC=CC=C2)CC(O[C@@H]2OC([C@@H](O)[C@H](O)[C@@H]2O)C(O)=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=ODSCYUCOVFARRF-OBRJYCGUSA-N

Formula

C37H41F3N2O11S

Mass

782.82

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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 - Kavalactone - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Pyridine-2-sulfonamide - Sulfanilide - Phenylpropane - Beta-hydroxy acid - Dihydropyranone - Benzenoid - Monosaccharide - Oxane - Organosulfonic acid amide - Hydroxy acid - Pyran - Dicarboxylic acid or derivatives - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Organofluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl fluoride - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - 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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