Structure Information
Structure

Compound Identification

SMILES

CCC1CC2CN3CCC4=C(NC5=CC(C6CC7C(C(CC8=C6NC6=CC=CC=C86)NCC7=CC)C(=O)OC)=C(OC)C=C45)C(C2)(C13)C(=O)OC

InChIKey

InChIKey=XVSWNFDALFLWFM-UHFFFAOYSA-N

Formula

C42H50N4O5

Mass

690.885

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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 - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Dicarboxylic acid or derivatives - Piperidine - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen 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

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