Compound Identification
SMILES
CCC1CC2CN3CCC4=C(NC5=C4C=C(C4CC6C(CNC(CC7=C4NC4=C7C=CC=C4)C6(C(O)OC)C(O)=O)=CC)C(OC)=C5)C(C2)(C13)C(=O)OC
InChIKey
InChIKey=ASAOQNDBDSPDOY-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 Pyrroloazepines 3-alkylindoles Piperidinecarboxylic acids Anisoles Azepines Beta hydroxy acids and derivatives Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Pyrroles 1,3-aminoalcohols Hemiacetals Amino acids Trialkylamines Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Vobasan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Aralkylamine - Azepine - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Hydroxy acid - Piperidine - Dicarboxylic acid or derivatives - Pyrrole - 1,3-aminoalcohol - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Amino acid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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