Compound Identification
SMILES
CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1.CC[C@H]1CC2CN3CCC4=C(NC5=CC=CC=C45)[C@](C2)([C@H]13)C(=O)OC
InChIKey
InChIKey=PDAPMGCSBMPPRB-SLVUYUQHSA-N
Formula
C34H44ClN3O3
Mass
578.19
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
Alkyl-phenylketones Pyrroloazepines 3-alkylindoles Piperidinecarboxylic acids Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Azepines Chlorobenzenes Aralkylamines Aryl chlorides Heteroaromatic compounds Pyrroles Methyl esters Alpha-amino ketones Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Ibogan skeleton - Catharanthine skeleton - Alkyl-phenylketone - Pyrroloazepine - 3-alkylindole - Phenylketone - Indole - Indole or derivatives - Phenylpropane - Piperidinecarboxylic acid - Benzoyl - Aryl alkyl ketone - Aryl ketone - Azepine - Chlorobenzene - Halobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Piperidine - Methyl ester - Heteroaromatic compound - Alpha-aminoketone - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ketone - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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