Structure Information
Structure

Compound Identification

SMILES

CCC1CC2CN3CCC4(O)C5=C(C=CC(OC)=C5)N=C4C(C2)(C13)C(=O)OC

InChIKey

InChIKey=AVRFPRAAVSCSSZ-UHFFFAOYSA-N

Formula

C22H28N2O4

Mass

384.476

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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 - Piperidinecarboxylic acid - Indole or derivatives - Anisole - Alkyl aryl ether - Azepane - Aralkylamine - Piperidine - Benzenoid - Tertiary alcohol - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Imine - Organopnictogen compound - Organic oxide - 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

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