Compound Identification
SMILES
CCC1CC2CC3(C1N(CCC1=C3NC3=C1C=C(OC)C=C3)C2=O)C(=O)OC
InChIKey
InChIKey=LTQINICYLGNLHN-UHFFFAOYSA-N
Formula
C22H26N2O4
Mass
382.46
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 Piperidinecarboxylic acids Anisoles Alkyl aryl ethers Azepines Delta lactams Piperidinones Methyl esters Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Delta-lactam - Piperidinone - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Lactam - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - 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