Compound Identification
SMILES
CC(=O)C1=C(O)C=C2OC(=C(C)C2=C1)C1=CC(=O)OC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=UZBYZKGWIAWVCG-UHFFFAOYSA-N
Formula
C20H13ClO5
Mass
368.77
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 Acetophenones Benzofurans Aryl alkyl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Furans Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Aldehydes Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Acetophenone - Benzofuran - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Vinylogous acid - Heteroaromatic compound - Furan - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aldehyde - Organohalogen 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