Compound Identification
SMILES
[Cl-].CCC1=CC2CC3(C1[N+](CC1=CC=CC=C1)(C2)CCC1=C3NC2=CC=CC=C12)C(=O)OC
InChIKey
InChIKey=CTNXTLYKMMMYRV-UHFFFAOYSA-M
Formula
C28H31ClN2O2
Mass
463.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ibogan-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ibogan-type alkaloids
Alternative Parents
N-benzylpiperidines Pyrroloazepines 3-alkylindoles Piperidinecarboxylic acids Phenylmethylamines Benzylamines Aralkylamines Azepines Tetraalkylammonium salts Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic chloride salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - N-benzylpiperidine - Benzylpiperidine - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Benzylamine - Phenylmethylamine - Azepine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic chloride salt - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ibogan-type alkaloids. These are indole alkaloids with a structure based on the ibogamine skeleton or a derivative thereof. Ibogamine is a pentacyclic heterocyclic compound consisting of an indole fused to an azepane-containing tricyclic moiety ring. Iboga alkaloids arise from the cyclization of a secodine-type precursor through the formation of a 16,21 bond.
External Descriptors
Not available