Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]12C[C@H]3C[C@H](C(C)O)[C@@H]1N(C3)CCC1=C2NC2=C1C=C(OC)C=C2

InChIKey

InChIKey=OYMQKBZMKFJPMH-WNQIVXPRSA-N

Formula

C22H28N2O4

Mass

384.476

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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 - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Aralkylamine - Alkyl aryl ether - Azepine - Benzenoid - Piperidine - Methyl ester - 1,3-aminoalcohol - Pyrrole - Heteroaromatic compound - Secondary alcohol - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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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