Compound Identification
SMILES
CC(C)C1=CC2=C(OC(=O)C=C2CSC2=NN=C(CNC3=CC4=C(NC(=O)O4)C=C3)N2C2=CC=CC=C2)C=C1
InChIKey
InChIKey=UIOFXCOVSVNHSA-UHFFFAOYSA-N
Formula
C29H25N5O4S
Mass
539.61
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
Phenyl-1,2,4-triazoles 1-benzopyrans Benzoxazolones Cumenes Secondary alkylarylamines Pyranones and derivatives Alkylarylthioethers Aralkylamines Oxazoles Heteroaromatic compounds Lactones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenyl-1,2,4-triazole - Phenyltriazole - Benzopyran - Benzoxazolone - 1-benzopyran - Benzoxazole - Cumene - Aryl thioether - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Azole - 1,2,4-triazole - Triazole - Oxazole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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