Compound Identification
SMILES
COC1=CC(O)=C(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]2C(C=O)=C[C@]2(O)CC(C)(C)C[C@H]32)C(C)=C1
InChIKey
InChIKey=BGKXQRPQNIXIMH-MEVKZITKSA-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 Salicylic acid and derivatives Methoxyphenols Phenoxy compounds Methoxybenzenes Meta cresols Benzoyl derivatives Anisoles 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 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 - Salicylic acid or derivatives - Methoxyphenol - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - M-cresol - Benzoyl - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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