Compound Identification
SMILES
OC(C(O)C(O)=O)C(O)=O.CCC1CC2CN3CCC4=C(NC5=CC=CC=C45)C(C2)(C13)C(=O)OC
InChIKey
InChIKey=NZFHALOWQAKLRX-UHFFFAOYSA-N
Formula
C25H32N2O8
Mass
488.537
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
3-alkylindoles Pyrroloazepines Piperidinecarboxylic acids Aralkylamines Azepines Beta hydroxy acids and derivatives Sugar acids and derivatives Short-chain hydroxy acids and derivatives Benzenoids Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Pyrroles Heteroaromatic compounds Methyl esters 1,2-diols Secondary alcohols Trialkylamines Amino acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Ibogan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Azepine - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monosaccharide - Piperidine - Alpha-hydroxy acid - Fatty acid - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - 1,2-diol - Amino acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organonitrogen compound - Amine - Organooxygen compound - Organic oxide - 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