Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1CC2C[C@H]3C4NC5=C(C=C(OC)C=C5)C4CCN(C2)C13

InChIKey

InChIKey=MRZGFGZACXZCAM-JJAQNIRASA-N

Formula

C20H28N2O

Mass

312.457

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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 - Indole or derivatives - Dihydroindole - Anisole - Phenol ether - Aralkylamine - Alkyl aryl ether - Azepane - Secondary aliphatic/aromatic amine - Benzenoid - Piperidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen 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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