Compound Identification
SMILES
OC(=O)C(F)(F)F.COC1=CC2=C(OC(=O)C=C2NC2CCN(CC3=CC4=C(OC(F)(F)O4)C=C3)CC2)C=C1
InChIKey
InChIKey=LYECYHZBXQPLQN-UHFFFAOYSA-N
Formula
C25H23F5N2O7
Mass
558.458
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 Benzodioxoles Anisoles Alkyl aryl ethers Secondary alkylarylamines Pyranones and derivatives Aminopiperidines Aralkylamines Vinylogous amides Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Lactones Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Anisole - Phenol ether - Alkyl aryl ether - 4-aminopiperidine - Aralkylamine - Pyranone - Secondary aliphatic/aromatic amine - Piperidine - Pyran - Benzenoid - Vinylogous amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid - Alkyl halide - Organohalogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - 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