Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)C(CCC(=O)C=CC1=CC=CC=C1)S(C)(=O)=O

InChIKey

InChIKey=PCXUKZBEDIBADR-UHFFFAOYSA-N

Formula

C21H22O5S

Mass

386.46

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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 - Alkyl-phenylketone - Cinnamic acid or derivatives - Butyrophenone - Phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Sulfonyl - Sulfone - Enone - Ketone - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen 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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