Compound Identification
SMILES
OC12CCCCC1CN(CC2)C(=O)COC1=C(Cl)C=C2C(OC(=O)C3=C2CCCC3)=C1
InChIKey
InChIKey=IWUZQZGLZRNHSL-UHFFFAOYSA-N
Formula
C24H28ClNO5
Mass
445.94
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 N-acylpiperidines Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Benzenoids Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - Lactone - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen 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