Compound Identification
SMILES
CCC1CC2CC3(C1N(CCC1=C3NC3=C1C=CC(OC)=C3C1CC3C(C(CC4=C1NC1=CC=CC=C41)N(C)C\C3=C/C)C(=O)OC)C2CC(C)=O)C(=O)OC
InChIKey
InChIKey=PGCQCKZLVRTFCK-JQAMDZJQSA-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 Beta-amino ketones Dicarboxylic acids and derivatives Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Beta-aminoketone - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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