Structure Information
Structure

Compound Identification

SMILES

CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1.CC[C@H]1CC2CN3CCC4=C(NC5=CC=CC=C45)[C@](C2)([C@H]13)C(=O)OC

InChIKey

InChIKey=PDAPMGCSBMPPRB-SLVUYUQHSA-N

Formula

C34H44ClN3O3

Mass

578.19

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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

Not available

Substituents

Ibogan skeleton - Catharanthine skeleton - Alkyl-phenylketone - Pyrroloazepine - 3-alkylindole - Phenylketone - Indole - Indole or derivatives - Phenylpropane - Piperidinecarboxylic acid - Benzoyl - Aryl alkyl ketone - Aryl ketone - Azepine - Chlorobenzene - Halobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Piperidine - Methyl ester - Heteroaromatic compound - Alpha-aminoketone - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ketone - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen 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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