Compound Identification
SMILES
CC[C@@H]1C[C@@H]2CN3CCC4(O)C5=C(C=CC(OC)=C5)N=C4C(C2)(C13)C(=O)OC
InChIKey
InChIKey=AVRFPRAAVSCSSZ-GSEWTJHMSA-N
Formula
C22H28N2O4
Mass
384.476
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 Anisoles Alkyl aryl ethers Azepanes Aralkylamines Tertiary alcohols Methyl esters Trialkylamines 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 - Anisole - Phenol ether - Alkyl aryl ether - Azepane - Aralkylamine - Benzenoid - Piperidine - Methyl ester - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Tertiary aliphatic amine - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Imine - Carbonyl group - Organic oxide - Organooxygen compound - Amine - Organonitrogen compound - Alcohol - 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