Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[C@@H]2CN3CCC4C(NC5=C4C=C(OC)C(=C5)[C@H]4C[C@H]5C(C\C5=C\C)[C@@H](C(CC5=C4NC4=CC=CC=C54)NC)C(=O)OC)[C@](C2)([C@H]13)C(=O)OC

InChIKey

InChIKey=YASZRXHHZSXNQI-VRHVUSBISA-N

Formula

C44H56N4O5

Mass

720.955

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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 - Beta amino acid or derivatives - 3-alkylindole - Dihydroindole - Piperidinecarboxylic acid - Indole or derivatives - Indole - Anisole - Phenol ether - Alkyl aryl ether - Azepane - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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