Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C2CC3=C(NC4=CC=CC=C34)C(CC1C(CN2C)=CC)C1=C(OC)C=C2C3=C(NC2=C1O)C1(CC2CC(C(C)O)C1N(C2)CC3)C(=O)OC

InChIKey

InChIKey=DWBBVRDEWWCOIT-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 - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Azepine - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Methyl ester - 1,3-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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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