Compound Identification
SMILES
CC[NH+](CC)CC1=C2OC(=O)C(CC3=CC=CC=C3)=C(C)C2=CC(Cl)=C1[O-]
InChIKey
InChIKey=JHOAYCMWMHFQIB-UHFFFAOYSA-N
Formula
C22H24ClNO3
Mass
385.89
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 Phenoxides Aralkylamines Aryl chlorides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aralkylamine - Phenoxide - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - 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