Compound Identification
SMILES
COCCOC1=C(Cl)C2=C(C=C(NC(=O)CCCC(=O)OC)C=C2)C(=O)O1
InChIKey
InChIKey=BSIWYMZPDXIDEA-UHFFFAOYSA-N
Formula
C18H20ClNO7
Mass
397.81
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 N-arylamides Pyranones and derivatives Alkyl aryl ethers Fatty acid methyl esters Aryl chlorides Fatty amides Benzenoids Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - N-arylamide - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acid methyl ester - Aryl chloride - Fatty amide - Aryl halide - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - 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