Compound Identification
SMILES
CC(C)C1=CC2=C(OC(=O)C=C2CSC2=NN=C(CNC3=C(N(C)N=C3C)N3CCOCC3)N2C2=CC=CC=C2)C=C1
InChIKey
InChIKey=AFIWBRYLLLURMJ-UHFFFAOYSA-N
Formula
C31H35N7O3S
Mass
585.73
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 Cumenes Dialkylarylamines Pyranones and derivatives Secondary alkylarylamines Aralkylamines Alkylarylthioethers Morpholines Heteroaromatic compounds Pyrazoles Lactones Oxacyclic compounds Dialkyl ethers Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenyltriazole - Phenyl-1,2,4-triazole - Benzopyran - 1-benzopyran - Cumene - Aryl thioether - Dialkylarylamine - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - 1,2,4-triazole - Triazole - Heteroaromatic compound - Pyrazole - Azole - Lactone - Thioether - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - 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