Compound Identification
SMILES
Cl.OC(=O)C(F)(F)F.CC(=O)C1=CCCC2CCC1N2
InChIKey
InChIKey=CTEVXKGNUCLTPS-UHFFFAOYSA-N
Formula
C12H17ClF3NO3
Mass
315.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Anatoxins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Anatoxins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anatoxins
Alternative Parents
Azepines Beta-amino ketones Pyrrolidines Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
Anatoxin skeleton - Azepine - Beta-aminoketone - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Hydrochloride - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anatoxins. These are organic compounds containing or derived from anatoxin, homoanatoxin or other analogues. Anatoxins constitute a class of potent neurotoxic alkaloids.
External Descriptors
Not available