Compound Identification
SMILES
COC(=O)C1C2CC3=C(NC4=C3C=CC=C4)C(CC1C(CN2C)=CC)C1=CC2=C(C=C1OCO)C1=C(N2)C2(CC3CC(C(C)O)C2N(C3)CC1)C(=O)OC
InChIKey
InChIKey=LEVRMKCCDOWZTC-UHFFFAOYSA-N
Formula
C43H52N4O7
Mass
736.91
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 Dicarboxylic acids and derivatives Benzenoids Methyl esters Heteroaromatic compounds 1,3-aminoalcohols Pyrroles Hemiacetals Trialkylamines Amino acids and derivatives Secondary alcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Azepine - Aralkylamine - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - 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