Compound Identification
SMILES
COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(C3)CC[C@@]1(O)C3=CC=CC=C3N=C21
InChIKey
InChIKey=BPKMKKDJAWRIOB-JBEOEGFRSA-N
Formula
C21H26N2O4
Mass
370.449
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
3-alkylindoles Piperidinecarboxylic acids Aralkylamines Azepanes Benzenoids 1,3-aminoalcohols Tertiary alcohols Methyl esters Trialkylamines Secondary alcohols Amino acids and derivatives Ketimines Azacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - 3-alkylindole - Indole or derivatives - Piperidinecarboxylic acid - Azepane - Aralkylamine - Piperidine - Benzenoid - 1,3-aminoalcohol - Tertiary alcohol - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Imine - Hydrocarbon derivative - Carbonyl group - Amine - Alcohol - Organonitrogen compound - Organooxygen compound - 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