Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CC[C@@]1(O)C3=NC2=C1C=C(OC)C=C2

InChIKey

InChIKey=PVTVZKZLDGQLIV-KVQYLLDKSA-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 - Indole or derivatives - Anisole - Phenol ether - Aralkylamine - Azepane - Alkyl aryl ether - Benzenoid - Piperidine - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Ketimine - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Hydrocarbon derivative - Alcohol - Amine - 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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