Compound Identification
SMILES
CC(=O)NC1=CC2=C(C=C1)C(COC(=O)C1=CC(O)=CC=C1)=CC(=O)O2
InChIKey
InChIKey=AYBBYZAPLQBWGZ-UHFFFAOYSA-N
Formula
C19H15NO6
Mass
353.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
m-Hydroxybenzoic acid esters 1-benzopyrans N-acetylarylamines Benzoyl derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-hydroxybenzoic acid ester - Coumarin - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - N-acetylarylamine - Benzoyl - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Acetamide - Lactone - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available