Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCC1=CC2CC3(C1[N+](CC1=CC=CC=C1)(C2)CCC1=C3NC2=CC=CC=C12)C(=O)OC

InChIKey

InChIKey=CTNXTLYKMMMYRV-UHFFFAOYSA-M

Formula

C28H31ClN2O2

Mass

463.02

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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 - N-benzylpiperidine - Benzylpiperidine - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Benzylamine - Phenylmethylamine - Azepine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic chloride salt - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic cation - 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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