Compound Identification
SMILES
COCC1=CC(=O)OC2=C1C=CC(=C2)N1C(=O)C2C3CCC(CC3=O)=C2C1=O
InChIKey
InChIKey=HXUKWTLCZWQKCR-UHFFFAOYSA-N
Formula
C21H17NO6
Mass
379.368
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 Isoindolones Pyranones and derivatives Pyrrolidine-2-ones Benzenoids N-substituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Lactones Lactams Ketones Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Isoindolone - Isoindole or derivatives - Isoindoline - Pyranone - Benzenoid - 2-pyrrolidone - Pyrrolidone - Pyran - Carboxylic acid imide, n-substituted - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Heteroaromatic compound - Lactone - Ketone - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - 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