Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next