Compound Identification
SMILES
COC(=O)C1C2CC3=C(NC4=CC=CC=C34)C(CC1C(CN2C)=CC)C1=C(OC)C=C2C3=C(NC2=C1O)C1(CC2CC(C(C)O)C1N(C2)CC3)C(=O)OC
InChIKey
InChIKey=DWBBVRDEWWCOIT-UHFFFAOYSA-N
Formula
C43H52N4O7
Mass
736.91
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 Hydroxyindoles Piperidinecarboxylic acids Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Azepines Dicarboxylic acids and derivatives 1,3-aminoalcohols Pyrroles Methyl esters Heteroaromatic compounds Amino acids and derivatives Secondary alcohols Trialkylamines Azacyclic compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Hydroxyindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Alkyl aryl ether - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Azepine - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Methyl ester - 1,3-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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