Structure Information
Structure

Compound Identification

SMILES

CC1=CC(O)=CC(O)=C1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@@H](CC(C)(C)[C@@H]3O)C=C(C=O)[C@]12O

InChIKey

InChIKey=VNRLQDGXGABKPC-METLCYJQSA-N

Formula

C23H28O7

Mass

416.47

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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-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Salicylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Resorcinol - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Vinylogous acid - Tertiary alcohol - Cyclobutanol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aldehyde - 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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