Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCC(CC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1)C(O)=O

InChIKey

InChIKey=RNVUDBCLFLLIFW-UHFFFAOYSA-N

Formula

C30H31ClO4

Mass

491.02

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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 homomonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Chlorinated biphenyl - Alkyl-phenylketone - Biphenyl - Butyrophenone - Phenylketone - Medium-chain keto acid - Phenylpropane - Gamma-keto acid - Aryl alkyl ketone - Benzoyl - Aryl ketone - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Keto acid - Benzenoid - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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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