Compound Identification
SMILES
ClCC1=CC2=C(OC(=O)C(=C2)C(=O)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=VGHDIDXMLKKYTC-UHFFFAOYSA-N
Formula
C18H13ClO3
Mass
312.75
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 Aryl alkyl ketones Pyranones and derivatives Benzene and substituted derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl ketone - Aryl alkyl ketone - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Alkyl halide - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alkyl chloride - 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