Compound Identification
SMILES
COc1cc(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=WOXXSXDXNWLLQQ-ZXSIQIRYSA-N
Formula
C24H30O6
Mass
414.498
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 Methoxyphenols Salicylic acid and derivatives Phenoxy compounds Methoxybenzenes Meta cresols Benzoyl derivatives Anisoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Toluenes Vinylogous acids Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Melleolide-skeleton - O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - Salicylic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - M-cresol - Anisole - Benzoyl - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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