Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CCNC(=O)C1=CC=CC=C1C(O)=O)OC1=C(Br)C=C(C=C1Br)C1=CC=C(C=C1)C1=C(CC2=CC=CC=C2)SC2=CC=CC=C12

InChIKey

InChIKey=YRLJYLHQSJYDKP-UHFFFAOYSA-N

Formula

C40H31Br2NO6S

Mass

813.56

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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 heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Polybrominated biphenyl - Brominated biphenyl - Biphenyl - Gamma amino acid or derivatives - Phenoxyacetate - Benzamide - 1-benzothiophene - Benzoic acid or derivatives - Benzoic acid - Benzothiophene - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Fatty acid ester - Halobenzene - Benzenoid - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Thiophene - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organobromide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic 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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