Structure Information
Structure

Compound Identification

SMILES

COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(CO)[C@]23O)c(C)c1Cl

InChIKey

InChIKey=PRLQMIJZFAUORD-OXKPQTCESA-N

Formula

C24H31ClO6

Mass

450.96

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