Compound Identification
SMILES
Cc1cc(O)cc(O)c1C(=O)O[C@@]1(C)[C@H](O)CC2=C(COC(\C=C\C(O)=O)=C2)C1=O
InChIKey
InChIKey=QPTACLRMSGFDEE-DMDWLKPBSA-N
Formula
C21H20O9
Mass
416.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azaphilones
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azaphilones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azaphilones
Alternative Parents
p-Hydroxybenzoic acid alkyl esters o-Hydroxybenzoic acid esters Salicylic acid and derivatives Resorcinols Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Pyrans Dicarboxylic acids and derivatives Vinylogous acids Secondary alcohols Carboxylic acid esters Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azaphilone - 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 - Cyclohexenone - Phenol - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyran - Benzenoid - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azaphilones. These are a structurally variable family of fungal polyketide metabolites possessing a highly oxygenated pyranoquinone bicyclic core, usually known as isochromene, and a quaternary carbon center.
External Descriptors
Not available