Compound Identification
SMILES
CCC1CC2CN3CCC4=C(NC5=CC(CC6=CC(OC)=C(OC)C=C6)=C(OC)C=C45)C(C2)(C13)C(=O)OC
InChIKey
InChIKey=PGUICKQMIHGVFS-UHFFFAOYSA-N
Formula
C31H38N2O5
Mass
518.654
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
3-alkylindoles Pyrroloazepines Dimethoxybenzenes Piperidinecarboxylic acids Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Azepines Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - O-dimethoxybenzene - Dimethoxybenzene - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Methyl ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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