Structure Information
Structure

Compound Identification

SMILES

CCC1CC2CC3(C1[N+]1([O-])CC(OC21)C1=C3NC2=C1C=C(OC)C=C2)C(=O)OC

InChIKey

InChIKey=FTRDJKNSAZYQLO-UHFFFAOYSA-N

Formula

C22H26N2O5

Mass

398.459

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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 - Piperidinecarboxylic acid - Indole or derivatives - Indole - Anisole - Alkyl aryl ether - Azepine - Piperidine - Benzenoid - Oxazolidine - Pyrrole - Methyl ester - Heteroaromatic compound - Trialkyl amine oxide - Carboxylic acid ester - Hemiaminal - Trisubstituted n-oxide - Carboxylic acid derivative - Ether - N-oxide - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic zwitterion - 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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