Compound Identification
SMILES
COC1=C(Cl)C(C)=C(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4[C@H](O)C(C=O)=C23)C(O)=C1
InChIKey
InChIKey=KWJJPEZBNLGOFB-RNNQDMPLSA-N
Formula
C24H29ClO6
Mass
448.94
Taxonomic Classification
Taxonomy Tree
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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
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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 Alkyl aryl ethers Chlorobenzenes Toluenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Carboxylic acid esters Secondary alcohols Aldehydes Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Melleolide-skeleton - O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - 4-halophenol - M-cresol - 4-chlorophenol - Phenol ether - Methoxybenzene - Toluene - Phenol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - 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