Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc([C@@H]3C[C@@H]4[C@H]([C@H](Cc5c3[nH]c3ccccc53)N(C)C\C4=C\C)C(=O)OC)c(OC)cc12

InChIKey

InChIKey=MCJPACZBPWHLOV-PIRSVSLCSA-N

Formula

C41H50N4O3

Mass

646.876

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