Compound Identification
SMILES
CC1=CC2=C(C=C1)C(CC(=O)N1CCCC(C1)C(=O)C1=CC3=C(OCO3)C=C1)=CC(=O)O2
InChIKey
InChIKey=DRKHUEGWNJKDFV-UHFFFAOYSA-N
Formula
C25H23NO6
Mass
433.46
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 Benzodioxoles Aryl alkyl ketones Pyranones and derivatives Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organic oxides Aldehydes Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - N-acyl-piperidine - Aryl alkyl ketone - Aryl ketone - Pyranone - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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