Compound Identification
SMILES
CC1=CC=CC=C1C1=NOC(COC(=O)COC2=CC3=C(C=C2)C(C)=CC(=O)O3)=N1
InChIKey
InChIKey=WHSBQJDZJYBZHP-UHFFFAOYSA-N
Formula
C22H18N2O6
Mass
406.394
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
Phenyloxadiazoles Phenoxyacetic acid derivatives 1-benzopyrans Phenol ethers Toluenes Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Coumarin - Phenoxyacetate - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Toluene - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen 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