Compound Identification
SMILES
CCOC(=O)\C=C\C1=C(NCC=C)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=JVDOBCSSQYXDNK-MDZDMXLPSA-N
Formula
C17H17NO4
Mass
299.326
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
1-benzopyrans Secondary alkylarylamines Pyranones and derivatives Fatty acid esters Benzenoids Vinylogous amides Heteroaromatic compounds Enoate esters Lactones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Fatty acid ester - Pyranone - Secondary aliphatic/aromatic amine - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Amino acid or derivatives - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - 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