Compound Identification
SMILES
COC(=O)C1[C@@H]2CC3=C(NC4=CC=CC=C34)C(C[C@H]1\C(CN2C)=C/C)C1=C(OC)C=C2C(NC3=C2CCN2C[C@H]4C[C@H]([C@H](C)O)[C@H]2[C@]3(C4)C(=O)OC)=C1
InChIKey
InChIKey=UIEKMUULTFWIHX-AOEZUFBFSA-N
Formula
C43H52N4O6
Mass
720.911
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 3-alkylindoles Pyrroloazepines Piperidinecarboxylic acids Anisoles Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives 1,3-aminoalcohols Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Secondary alcohols Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - 1,3-aminoalcohol - Heteroaromatic compound - Methyl ester - Pyrrole - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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