Compound Identification
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N1COC2=C(Cl)C=C3C4=C(CCC4)C(=O)OC3=C2C1
InChIKey
InChIKey=BSZCZEPMNDXMII-UHFFFAOYSA-N
Formula
C25H24ClNO5
Mass
453.92
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 Benzoic acid esters Benzoxazines Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzoate ester - Benzopyran - Benzoxazine - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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