Compound Identification
SMILES
COC(=O)C1C2CC3=C(NC4=C3C=CC=C4)C(CC1C(CN2C)=C(C)O)C1=CC2=C(C=C1OC)C1=C(N2)C2(CC3CC(C(C)O)C2N(C3)CC1)C(=O)OC
InChIKey
InChIKey=CZLLSXLXBWEVHN-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 Methyl esters Heteroaromatic compounds 1,3-aminoalcohols Pyrroles Trialkylamines Secondary alcohols Amino acids and derivatives Enols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen 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 - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Methyl ester - Pyrrole - Heteroaromatic compound - 1,3-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Enol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - 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