Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C)=C(CCC(=O)OCC1=COC(=N1)C1=CC=CS1)C(=O)O2
InChIKey
InChIKey=NRKVWFXDGHREAY-UHFFFAOYSA-N
Formula
C22H19NO6S
Mass
425.46
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 Anisoles Pyranones and derivatives 2,4-disubstituted oxazoles Alkyl aryl ethers Fatty acid esters Thiophenes Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acyl - Benzenoid - Pyran - Azole - Heteroaromatic compound - Oxazole - Thiophene - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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