Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C2CC3=C(NC4=C3C=CC=C4O)C(CC1C(CN2C)=CC)C1=CC2=C(C=C1OC)C1=C(N2)C2(CC3CC(C(C)O)C2N(C3)CC1)C(=O)OC

InChIKey

InChIKey=AGCQPSQMCLNAFH-UHFFFAOYSA-N

Formula

C43H52N4O7

Mass

736.91

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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 - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Hydroxyindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Azepine - Benzenoid - Piperidine - Dicarboxylic acid or derivatives - 1,3-aminoalcohol - Heteroaromatic compound - Methyl ester - Pyrrole - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Amine - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Alcohol - 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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