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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
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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
o-Hydroxybenzoic acid esters P-methoxybenzoic acids and derivatives 3-halobenzoic acids and derivatives Methoxyphenols Salicylic acid and derivatives Anisoles Benzoyl derivatives Meta cresols Methoxybenzenes P-chlorophenols Phenoxy compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary alcohols Vinylogous acids Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
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