Compound Identification
SMILES
CC1=CC(=O)OC2=CC(N3CCC[C@H]3CO)=C(N)C=C12
InChIKey
InChIKey=KOXLETCXYWHWJJ-JTQLQIEISA-N
Formula
C15H18N2O3
Mass
274.32
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 Dialkylarylamines Pyranones and derivatives Benzenoids Pyrrolidines Heteroaromatic compounds Lactones 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Pyrrolidine - Heteroaromatic compound - Tertiary amine - 1,2-aminoalcohol - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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