Compound Identification
SMILES
[Cl-].CC(=O)NC1C2C[NH+]3CCC(O2)C13
InChIKey
InChIKey=CZJGYIYRBAMUIK-UHFFFAOYSA-N
Formula
C9H15ClN2O2
Mass
218.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Loline alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Loline alkaloids and derivatives
Alternative Parents
Pyrrolizidines 1,4-oxazepines N-alkylpyrrolidines Morpholines Quaternary ammonium salts Oxolanes Acetamides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Loline - Pyrrolizidine - Para-oxazepine - Morpholine - Oxazinane - N-alkylpyrrolidine - Oxolane - Acetamide - Pyrrolidine - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic chloride salt - Organic oxide - Organic salt - Organic zwitterion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as loline alkaloids and derivatives. These are alkaloids with a structure characterized by a saturated pyrrolizidine ring, a primary amine at the C-1 carbon, and an internal ether bridge joining two distant ring (C-2 and C-7) carbons. Different substituents at the C-1 amine, such as methyl, formyl, and acetyl groups, yield various loline species.
External Descriptors
Not available