Compound Identification
SMILES
CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(CCC1=C3NC3=C1C=CC(OC)=C3)C2O
InChIKey
InChIKey=ILKRBNJXPMXUQC-RTNDPOLBSA-N
Formula
C20H26N2O2
Mass
326.44
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 Anisoles Azepines Alkyl aryl ethers Piperidines Pyrroles Heteroaromatic compounds Tertiary amines Hemiaminals Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Hemiaminal - Tertiary amine - Alkanolamine - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - 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