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=C(C=CC(OC)=C3)N=C21
InChIKey
InChIKey=MMANMJCGIGNJGH-SNJYEUFFSA-N
Formula
C22H28N2O5
Mass
400.475
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
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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 Anisoles Alkyl aryl ethers Azepanes Aralkylamines Tertiary alcohols 1,3-aminoalcohols Methyl esters Trialkylamines Secondary alcohols Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - 3-alkylindole - Indole or derivatives - Piperidinecarboxylic acid - Phenol ether - Anisole - Alkyl aryl ether - Azepane - Aralkylamine - Piperidine - Benzenoid - 1,3-aminoalcohol - Methyl ester - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Ketimine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Imine - Organooxygen compound - Organonitrogen 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