Compound Identification
SMILES
COCCC1CC2CN3CCC4=C(NC5=CC=CC=C45)C(C2)(C13)C(O)=O
InChIKey
InChIKey=UJXMSPIANCHPAO-UHFFFAOYSA-N
Formula
C21H26N2O3
Mass
354.45
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
Pyrroloazepines 3-alkylindoles Piperidinecarboxylic acids Aralkylamines Azepines Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - Pyrroloazepine - 3-alkylindole - Piperidinecarboxylic acid - Indole or derivatives - Indole - Aralkylamine - Azepine - Piperidine - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen 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