Compound Identification
SMILES
CNC(=O)C1=NC=CC(OC2=CC(C)=C(NC(=O)NC3=CC4=C(C=C3)C(C)=CC(=O)O4)C=C2)=C1
InChIKey
InChIKey=BKAZWKGLPXMYQG-UHFFFAOYSA-N
Formula
C25H22N4O5
Mass
458.474
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 N-phenylureas Pyridinecarboxamides 2-heteroaryl carboxamides Phenol ethers Phenoxy compounds Toluenes Pyranones and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactones Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - N-phenylurea - 1-benzopyran - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen 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