Compound Identification
SMILES
COC(=O)C1C2CC3=C(NC4=CC=CC=C34)C(CC1C(CN2C)=CC)C1=CC2=C(C=C1OC)C1=C(N2)C2(CC3CN(CC1)C2C(O)(C3)C(C)O)C(=O)OC
InChIKey
InChIKey=MJMOKBNEIUERSH-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 Anisoles Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives Pyrroles Tertiary alcohols 1,3-aminoalcohols Methyl esters Heteroaromatic compounds Secondary alcohols 1,2-diols Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Cyclic alcohols and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Dicarboxylic acid or derivatives - Piperidine - Cyclic alcohol - Methyl ester - Tertiary alcohol - 1,3-aminoalcohol - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - 1,2-diol - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen 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