Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(CCC1=C3NC3=C1C=CC(OC)=C3)C2O

InChIKey

InChIKey=ILKRBNJXPMXUQC-RTNDPOLBSA-N

Formula

C20H26N2O2

Mass

326.44

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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 - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Hemiaminal - Tertiary amine - Alkanolamine - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - 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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