Compound Identification
SMILES
CC1=CC(O)=CC(O)=C1C(=O)OC1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3CC(CO)=C12
InChIKey
InChIKey=PWOYAWWIXUTWJJ-KLIWNFNASA-N
Formula
C23H30O5
Mass
386.488
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Illudanes and illudins
- Level 6 Melleolides and analogues
-
Level 5
Illudanes and illudins
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
p-Hydroxybenzoic acid alkyl esters o-Hydroxybenzoic acid esters Salicylic acid and derivatives Resorcinols Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Melleolide-skeleton - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Salicylic acid or derivatives - Benzoic acid or derivatives - M-cresol - Benzoyl - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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