Compound Identification
SMILES
CC1CC(C)CN(C1)C1=NC(OC2=CC=CC3=C2N=CC=C3)=NC(SC2=NN=C(O2)C2=CC3=CC=CC=C3OC2=O)=N1
InChIKey
InChIKey=GZLHPEHEUPFJFO-UHFFFAOYSA-N
Formula
C30H25N7O4S
Mass
579.64
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
Diarylthioethers Diarylethers Quinolines and derivatives 1-benzopyrans Phenol ethers Dialkylarylamines Pyranones and derivatives Aminotriazines Pyridines and derivatives Piperidines 1,3,5-triazines 1,3,4-oxadiazoles Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Diarylthioether - Benzopyran - Quinoline - 1-benzopyran - Aryl thioether - Phenol ether - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Pyranone - Piperidine - Pyran - Pyridine - 1,3,5-triazine - Triazine - Benzenoid - Azole - Heteroaromatic compound - 1,3,4-oxadiazole - Oxadiazole - Lactone - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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