Compound Identification
SMILES
CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC1=C3NC2=C1C=CC(=C2)[C@H]1C[C@H]2C([C@@H](CC3=C1NC1=CC=CC=C31)N(C)C\C2=C\C)C(=O)OC
InChIKey
InChIKey=MTARGWPMLJBYNG-OHLRIDSASA-N
Formula
C40H48N4O2
Mass
616.85
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 Aralkylamines Azepines Benzenoids Methyl esters Heteroaromatic compounds Pyrroles Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Azepine - Aralkylamine - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - 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