Compound Identification
SMILES
CN1C(=O)N(C)C2=C(C(C3=CC=CC=C3O2)C2=C(N)C3=CC=CC=C3OC2=O)C1=O
InChIKey
InChIKey=KDXRGFNDFYOBHZ-UHFFFAOYSA-N
Formula
C22H17N3O5
Mass
403.394
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
Diarylethers 1-benzopyrans Pyrimidones Pyranones and derivatives Benzenoids Vinylogous esters Vinylogous amides Heteroaromatic compounds Lactones Lactams Ureas Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - Pyranone - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Lactam - Lactone - Urea - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen 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