Compound Identification
SMILES
FC1=CC=CC(OC(=O)C2=CC3=C(OC2=O)C=CC(C[N+]24CN5CN(CN(C5)C2)C4)=C3)=C1
InChIKey
InChIKey=PIOHHJJCPIZNFP-UHFFFAOYSA-N
Formula
C23H22FN4O4
Mass
437.451
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
Phenol esters 1-benzopyrans Phenoxy compounds Pyranones and derivatives Fluorobenzenes 1,3,5-triazinanes Aryl fluorides Tetraalkylammonium salts Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Aminals Azacyclic compounds Organooxygen compounds Organofluorides Amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenol ester - 1-benzopyran - Benzopyran - Phenoxy compound - Pyranone - Halobenzene - Fluorobenzene - 1,3,5-triazinane - Aryl fluoride - Pyran - Monocyclic benzene moiety - Benzenoid - Aryl halide - Triazinane - Quaternary ammonium salt - Tetraalkylammonium salt - Heteroaromatic compound - Carboxylic acid ester - Lactone - Aminal - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic cation - 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