Compound Identification
SMILES
COC1=CC2=C(C=C1)C(COC(=O)[C@H](C(C)C)C1=CC=C(Cl)C=C1)=CC(=O)O2
InChIKey
InChIKey=VOCSLUTXLCRBDV-OAQYLSRUSA-N
Formula
C22H21ClO5
Mass
400.86
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 Phenylpropanes Anisoles Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenylpropane - Anisole - Alkyl aryl ether - Fatty acid ester - Halobenzene - Chlorobenzene - Pyranone - Aryl chloride - Aryl halide - Fatty acyl - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organooxygen compound - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen 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