Compound Identification
SMILES
CC[C@H]1CC2C[C@H]3C4NC5=C(C=C(OC)C=C5)C4CCN(C2)C13
InChIKey
InChIKey=MRZGFGZACXZCAM-JJAQNIRASA-N
Formula
C20H28N2O
Mass
312.457
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
Indolines Anisoles Secondary alkylarylamines Azepanes Aralkylamines Alkyl aryl ethers Piperidines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ibogan skeleton - Catharanthine skeleton - Indole or derivatives - Dihydroindole - Anisole - Phenol ether - Aralkylamine - Alkyl aryl ether - Azepane - Secondary aliphatic/aromatic amine - Benzenoid - Piperidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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