Compound Identification
SMILES
CCOC(=O)C(C(C)=O)C1=CC(=O)OC2=C3CCCN4CCCC(C=C12)=C34
InChIKey
InChIKey=QWESMLSGJOYQPZ-UHFFFAOYSA-N
Formula
C21H23NO5
Mass
369.417
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 Hydroquinolines Dialkylarylamines Pyranones and derivatives Aralkylamines Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds Benzenoids Heteroaromatic compounds Amino acids and derivatives Lactones Ketones Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Beta-keto acid - Fatty acid ester - Pyranone - Aralkylamine - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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