Compound Identification
SMILES
CCCCCCCCCCCCCCCC(=O)[C@]12C=CC3CC(C)(C)CC3[C@@]1(C)C[C@H]2OC(=O)C1=C(O)C=C(O)C=C1C
InChIKey
InChIKey=PSNKKHZZMVHFOR-TXNBMRCFSA-N
Formula
C38H58O5
Mass
594.877
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Sesquiterpenoids
-
Level 5
Illudanes and illudins
- Level 6 Melleolides and analogues
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Level 5
Illudanes and illudins
-
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
p-Hydroxybenzoic acid alkyl esters o-Hydroxybenzoic acid esters Salicylic acid and derivatives Resorcinols Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Melleolide-skeleton - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Salicylic acid or derivatives - Benzoic acid or derivatives - M-cresol - Benzoyl - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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