Structure Information
Structure

Compound Identification

SMILES

COCC[C@H]1CC2CN3CCC4=C(NC5=CC=CC=C45)[C@](C2)(C13)C(=O)NCCCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12

InChIKey

InChIKey=BOLQAVIESYXIDT-PZIGZCLRSA-N

Formula

C37H54N6O4S

Mass

678.94

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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 - Biotin_derivative - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Thienoimidazolidine - Azepine - Aralkylamine - Fatty amide - Imidazolidinone - Fatty acyl - N-acyl-amine - Benzenoid - Piperidine - Thiophene - Thiolane - Imidazolidine - Pyrrole - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Azacycle - Dialkylthioether - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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