Compound Identification
SMILES
CCC1CC2CC3(C1N(CCC1=C3NC3=CC(C4CC5C(C(CC6=C4NC4=CC=CC=C64)N(C)CC5=CC)C(=O)OC)=C(OC)C=C13)C2CC(C)=O)C(=O)OC
InChIKey
InChIKey=JFMCSVGOUFMPTG-UHFFFAOYSA-N
Formula
C46H56N4O6
Mass
760.976
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
-
Superclass
Alkaloids and derivatives
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
Vobasan alkaloids 3-alkylindoles Pyrroloazepines Piperidinecarboxylic acids Anisoles Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives Beta-amino ketones Heteroaromatic compounds Pyrroles Methyl esters Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Aralkylamine - Azepine - Alkyl aryl ether - Dicarboxylic acid or derivatives - Beta-aminoketone - Benzenoid - Piperidine - Methyl ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Ketone - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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