Structure Information
Structure

Compound Identification

SMILES

CCC1CC2CN3CCC4=C(NC5=C4C=C(C4CC6C(CNC(CC7=C4NC4=C7C=CC=C4)C6(C(O)OC)C(O)=O)=CC)C(OC)=C5)C(C2)(C13)C(=O)OC

InChIKey

InChIKey=ASAOQNDBDSPDOY-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 - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Aralkylamine - Azepine - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Hydroxy acid - Piperidine - Dicarboxylic acid or derivatives - Pyrrole - 1,3-aminoalcohol - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Amino acid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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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