Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C(C)=C(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23OC)C(O)=C1

InChIKey

InChIKey=OFHJKWNSOIQOPB-JJYCJAGASA-N

Formula

C25H31ClO6

Mass

462.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Illudanes and illudins

Direct Parent

Melleolides and analogues

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Melleolide-skeleton - O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxybenzene - Benzoyl - 4-halophenol - Anisole - Phenoxy compound - Phenol ether - M-cresol - 4-chlorophenol - Chlorobenzene - Halobenzene - Toluene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Vinylogous acid - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Aldehyde - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as melleolides and analogues. These are compounds with a structure characterized by the presence of a 2-hydroxy-4-methoxy-6-methylbenzoic acid derivative linked to a 3,6,6,7b-tetramethyl-cyclobuta[e]indene moiety.

External Descriptors

Not available

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