Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(CCC1=C3NC3=CC=CC=C13)C2C#N)C(=O)OC

InChIKey

InChIKey=CGDVOGVMBLPRQW-OCMOQFMESA-N

Formula

C22H25N3O2

Mass

363.461

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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 - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Azepine - Aralkylamine - Piperidine - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Alpha-aminonitrile - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - 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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