Compound Identification
SMILES
CC(C)N(C1CCCCC1)C(=O)CN1N=CC2=C1C1=C(OC2=O)C=CC(C)=C1
InChIKey
InChIKey=SGNGYKGIWIHRTG-UHFFFAOYSA-N
Formula
C22H27N3O3
Mass
381.476
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 Pyranones and derivatives Benzenoids Vinylogous amides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Lactone - Carboxamide group - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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