Compound Identification
SMILES
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc([C@@H]3C[C@@H]4[C@H]([C@H](Cc5c3[nH]c3ccccc53)N(C)C\C4=C\C)C(=O)OC)c(OC)cc12
InChIKey
InChIKey=MCJPACZBPWHLOV-PIRSVSLCSA-N
Formula
C41H50N4O3
Mass
646.876
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ibogan-type alkaloids
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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 Pyrroloazepines 3-alkylindoles Piperidinecarboxylic acids Anisoles Azepines Aralkylamines Alkyl aryl ethers Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - 3-alkylindole - Pyrroloazepine - Piperidinecarboxylic acid - Indole or derivatives - Indole - Anisole - Aralkylamine - Azepine - Alkyl aryl ether - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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