Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C12CC3(CC(CC(C3)(C1)C1=CC=C(C=C1)C#CC1=CC=C(CSC(C)=O)C=C1)(C2)C1=CC=C(C=C1)C#CC1=CC=C(CSC(C)=O)C=C1)C1=CC=C(C=C1)C#CC1=CC=C(CSC(C)=O)C=C1

InChIKey

InChIKey=GJKRUFPKSUPIMB-UHFFFAOYSA-N

Formula

C77H62O5S3

Mass

1163.52

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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 homopolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic 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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