Compound Identification
SMILES
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)CC1=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)C(=O)O1
InChIKey
InChIKey=OZODDXHMGDRXJN-UHFFFAOYSA-N
Formula
C29H28ClNO3
Mass
474.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Phenylpropanes Cumenes Anilides N-arylamides Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Phenylpropane - Anilide - Cumene - N-arylamide - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available