Compound Identification
SMILES
O=C1NC2=C(N=C1NC13CC4CC(CC(C4)C1)C3)C(=O)OC1=CC=CC=C21
InChIKey
InChIKey=LCRTYFSWUXCOCY-UHFFFAOYSA-N
Formula
C21H21N3O3
Mass
363.417
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 Aminopyrazines Benzenoids Imidolactams Vinylogous amides Heteroaromatic compounds Lactones Lactams Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aminopyrazine - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Pyrazine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic nitrogen compound - 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