Compound Identification
SMILES
COC1=CC(O)=C(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)C(C)=C1
InChIKey
InChIKey=XXMVVKDVYBWXPQ-QSNWBFGMSA-N
Formula
C24H32O8
Mass
448.512
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 Benzoyl derivatives Meta cresols Methoxybenzenes Anisoles Phenoxy compounds Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Polyols Monocarboxylic acids and derivatives Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Melleolide-skeleton - P-methoxybenzoic acid or derivatives - O-hydroxybenzoic acid ester - Methoxyphenol - Salicylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Methoxybenzene - Phenoxy compound - Benzoyl - M-cresol - Phenol ether - Anisole - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Cyclobutanol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Primary alcohol - 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