Compound Identification
SMILES
CC[C@H]1C[C@H]2CN3CCC4=C(NC5=CC([C@H]6C[C@H]7C([C@@H](CC8=C6NC6=CC=CC=C86)N(C)C\C7=C\C)C(=O)OC)=C(OC)C=C45)[C@](C2)([C@H]13)C(=O)OC
InChIKey
InChIKey=VCMIRXRRQJNZJT-XXGVZUFUSA-N
Formula
C43H52N4O5
Mass
704.912
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 Anisoles Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives Heteroaromatic compounds Pyrroles Methyl esters Amino acids and derivatives Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
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 - Methyl ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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