Structure Information
Structure

Compound Identification

SMILES

CCC1CC2CC3(C1N(CCC1=C3NC3=C1C=C(OC)C=C3)C2=O)C(=O)OC

InChIKey

InChIKey=LTQINICYLGNLHN-UHFFFAOYSA-N

Formula

C22H26N2O4

Mass

382.46

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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 - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Delta-lactam - Piperidinone - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Lactam - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - 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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