Compound Identification
SMILES
COC1=CC2=C(OC(=O)C(NC(=O)C3=CC=CC=C3NCC3=CC=NC=C3)=C2)C=C1
InChIKey
InChIKey=IKTCQKAFPNQIHM-UHFFFAOYSA-N
Formula
C23H19N3O4
Mass
401.422
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
1-benzopyrans Aminobenzoic acids and derivatives Anthranilamides Aniline and substituted anilines Anisoles Phenylalkylamines Benzoyl derivatives Alkyl aryl ethers Secondary alkylarylamines Pyranones and derivatives Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Aminobenzoic acid or derivatives - Anthranilamide - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Aralkylamine - Pyranone - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Pyran - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Secondary amine - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen 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