Compound Identification
SMILES
CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=CC(O)=C1Cl
InChIKey
InChIKey=UHFQTECWVLYLBG-UHFFFAOYSA-N
Formula
C23H27ClO6
Mass
434.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesquiterpenoids
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Level 5
Illudanes and illudins
- Level 6 Melleolides and analogues
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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 3-halobenzoic acids and derivatives Salicylic acid and derivatives Benzoyl derivatives Meta cresols O-chlorophenols P-chlorophenols Resorcinols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Toluenes Aryl chlorides Vinylogous acids Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Aldehydes Hydrocarbon derivatives Organochlorides
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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 4-halophenol - 2-halophenol - M-cresol - 2-chlorophenol - 4-chlorophenol - Resorcinol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary alcohol - Vinylogous acid - Cyclobutanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Aldehyde - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - 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