Compound Identification
SMILES
CCCOC1=C(Cl)C2=C(C=C(C=C2)N(C(=O)CCC2=CC=CC=C2)C(=O)CCC2=CC=CC=C2)C(=O)O1
InChIKey
InChIKey=WBUAYNORAUIJII-UHFFFAOYSA-N
Formula
C30H28ClNO5
Mass
518.01
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 Pyranones and derivatives Alkyl aryl ethers N-substituted carboxylic acid imides Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Dicarboximides Lactones Oxacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Carboxylic acid imide, n-substituted - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - 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