Compound Identification
SMILES
OC(CC(O)=O)NC1=CC=C2OC(=O)C3=CC=CC=C3C2=C1
InChIKey
InChIKey=NUHWHSIFFOMOSW-UHFFFAOYSA-N
Formula
C16H13NO5
Mass
299.282
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
Beta amino acids and derivatives Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Secondary alkylarylamines Pyranones and derivatives Beta hydroxy acids and derivatives Benzenoids Heteroaromatic compounds Lactones Amino acids Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkanolamines Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Coumarin - Isocoumarin - Benzopyran - 2-benzopyran - 1-benzopyran - Beta-hydroxy acid - Secondary aliphatic/aromatic amine - Pyranone - Hydroxy acid - Benzenoid - Pyran - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Lactone - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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