Compound Identification
SMILES
[I-].COC1=C(O)C(OC)=C2C(CC[C@@H]3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)=C1
InChIKey
InChIKey=QMANBOTXYCQXPN-PFEQFJNWSA-N
Formula
C22H28INO5
Mass
513.372
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Homoaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Homoaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Homoaporphines
Alternative Parents
Tetrahydroisoquinolines Anisoles Phenols Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Azacyclic compounds Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoaporphine - Tetrahydroisoquinoline - Anisole - Phenol ether - Phenol - Aralkylamine - Alkyl aryl ether - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Azacycle - Organoheterocyclic compound - Organic iodide salt - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoaporphines. These are alkaloids derived from phenethylisoquinoline precursors by direct intramolecular oxidative coupling. They incorporate a nucleus A and are always pentaoxygenated at C- 1, -2, - 10, - 11, and - 12. The nitrogen function in ring B is usually N-methylated, but it may also be secondary.
External Descriptors
Not available