Compound Identification
SMILES
CC[C@H]1C[C@H]2CN3CCC4=C(NC5=CC([C@@H]6C[C@H]7\C(CN(C)[C@@H](CC8=C6NC6=CC=CC=C86)[C@@]7(CO)C(=O)OC)=C/C)=C(OC)C=C45)[C@](C2)([C@H]13)C(=O)OC
InChIKey
InChIKey=RCZOPNYUVDGBLR-DAZPTCFJSA-N
Formula
C44H54N4O6
Mass
734.938
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 hydroxy acids and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds 1,3-aminoalcohols Pyrroles Methyl esters Amino acids and derivatives Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Beta-hydroxy acid - Piperidine - Dicarboxylic acid or derivatives - Hydroxy acid - Benzenoid - Heteroaromatic compound - Pyrrole - 1,3-aminoalcohol - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Amine - 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