Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OCC(=O)N1CCOC(COC3=NC=NC4=CC=CC=C34)C1)=C2
InChIKey
InChIKey=FLBYRAJLIGCGEH-UHFFFAOYSA-N
Formula
C25H23N3O6
Mass
461.474
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
1-benzopyrans Quinazolines Phenol ethers Alkyl aryl ethers Pyranones and derivatives Pyrimidines and pyrimidine derivatives Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Quinazoline - Phenol ether - Alkyl aryl ether - Pyranone - Morpholine - Oxazinane - Benzenoid - Pyrimidine - Pyran - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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