Compound Identification
SMILES
[Cl-].C\C=C(/C)C(=O)OC1CC[NH+]2CC=C(CO)C12
InChIKey
InChIKey=JHZIVBOZTQPAIU-JSGFVSQVSA-N
Formula
C13H20ClNO3
Mass
273.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Alkaloids and derivatives
Alternative Parents
Pyrrolizines Fatty acid esters N-alkylpyrrolidines 1,3-aminoalcohols Enoate esters Quaternary ammonium salts Pyrrolines Trialkylamines Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic chloride salts Hydrocarbon derivatives Organic oxides Organic zwitterions Primary alcohols Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alkaloid or derivatives - Pyrrolizine - Fatty acid ester - N-alkylpyrrolidine - Fatty acyl - 1,3-aminoalcohol - Pyrrolidine - Pyrroline - Quaternary ammonium salt - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors
Not available