Structure Information
Structure

Compound Identification

SMILES

CCC1CC2CC3(C1N(CCC1=C3NC3=C1C=CC(OC)=C3C1CC3C(C(CC4=C1NC1=CC=CC=C41)N(C)C\C3=C/C)C(=O)OC)C2CC(C)=O)C(=O)OC

InChIKey

InChIKey=PGCQCKZLVRTFCK-JQAMDZJQSA-N

Formula

C46H56N4O6

Mass

760.976

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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 - Alkyl aryl ether - Azepine - Aralkylamine - Beta-aminoketone - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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