Compound Identification
SMILES
CN(C)C1=NC(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)=NC(NC2=CC=C(C=C2)N2C(SCC2=O)C2=CC=C(C)C=C2)=N1
InChIKey
InChIKey=JSWYQAZRKXTMHF-UHFFFAOYSA-N
Formula
C31H28N6O4S
Mass
580.66
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
Diarylethers 1-benzopyrans Phenol ethers Aniline and substituted anilines 1,3,5-triazine-2,4-diamines Dialkylarylamines Toluenes Pyranones and derivatives N-aliphatic s-triazines 1,3,5-triazines Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Lactams Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - 2,4-diamine-s-triazine - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Pyranone - Toluene - N-aliphatic s-triazine - Aminotriazine - Benzenoid - 1,3,5-triazine - Monocyclic benzene moiety - Triazine - Pyran - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Lactone - Azacycle - Ether - Carboxylic acid derivative - Dialkylthioether - Organoheterocyclic compound - Oxacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - 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