Compound Identification
SMILES
COC1=C(O)C2=C3C(CC22C=C(Br)C(=O)C(Br)=C2)[N+](C)(C)CCC3=C1
InChIKey
InChIKey=YMWJIVMUUMKMQE-UHFFFAOYSA-O
Formula
C19H20Br2NO3
Mass
470.18
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 Alkyl aryl ethers Aralkylamines Phenols Tetraalkylammonium salts Alpha-haloketones Cyclic ketones Bromoalkenes Azacyclic compounds Vinyl bromides Hydrocarbon derivatives Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proaporphine - Tetrahydroisoquinoline - Indane - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Aralkylamine - Benzenoid - Alpha-haloketone - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Cyclic ketone - Ether - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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