Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(CC2=C(OC)C(=CC(=C2)C(CCl)C2=CC(CC3=CC(Cl)=C(OC)C(=C3)C(=O)OC)=C(OC)C(=C2)C(=O)OC)C(=O)OC)=CC(Cl)=C1OC

InChIKey

InChIKey=JZOTZGGTMARWPU-UHFFFAOYSA-N

Formula

C40H39Cl3O12

Mass

818.09

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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 - Diphenylmethane - O-methoxybenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Benzoyl - Halobenzene - Alkyl aryl ether - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Alkyl halide - Alkyl chloride - 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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