Compound Identification
SMILES
CC1=CC(C(=O)CCC(=O)OCC2=CC(=O)OC3=CC(C)=C(C)C=C23)=C(C)S1
InChIKey
InChIKey=VJAZRUHYJMNVEY-UHFFFAOYSA-N
Formula
C22H22O5S
Mass
398.47
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 Gamma-keto acids and derivatives Aryl alkyl ketones 2,3,5-trisubstituted thiophenes Pyranones and derivatives Fatty acid esters Benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Gamma-keto acid - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Pyranone - Benzenoid - Fatty acyl - Pyran - Keto acid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Aldehyde - Organic oxide - Carbonyl group - Organic oxygen compound - 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