Compound Identification
SMILES
ClC1=C2OCN(CC2=C2OC(=O)C3=C(CCC3)C2=C1)C1CCCC2=CC=CC=C12
InChIKey
InChIKey=BBMVHINTFFYXED-UHFFFAOYSA-N
Formula
C24H22ClNO3
Mass
407.89
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
Tetralins Benzoxazines 1-benzopyrans Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Benzoxazine - Tetralin - 1-benzopyran - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Heteroaromatic compound - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - 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