Compound Identification
SMILES
COC(=O)C12C[C@@H]3C[C@H](C1N(C3)CCC1=C2NC2=CC=CC=C12)C(C)=O
InChIKey
InChIKey=WLHKFNKQLUMXHS-KJJXPLKASA-N
Formula
C21H24N2O3
Mass
352.434
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 Pyrroloazepines Piperidinecarboxylic acids Aralkylamines Azepines Beta-amino ketones Benzenoids Methyl esters Heteroaromatic compounds Pyrroles Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Azepine - Benzenoid - Piperidine - Beta-aminoketone - Heteroaromatic compound - Methyl ester - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organic oxide - 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