Compound Identification
SMILES
[I-].COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[N+](C)(C)CCC3=C1
InChIKey
InChIKey=SEKHNKSBXJUVLE-UHFFFAOYSA-M
Formula
C20H24INO3
Mass
453.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Proaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Proaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Proaporphines
Alternative Parents
Tetrahydroisoquinolines Indanes Anisoles Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Cyclic ketones Azacyclic compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proaporphine - Tetrahydroisoquinoline - Indane - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Cyclic ketone - Ketone - Organoheterocyclic compound - Ether - Azacycle - Organic iodide salt - Organic salt - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.
External Descriptors
Not available