Compound Identification
SMILES
COC1=C(O)C2=C3[C@H](CCC4=CC(OC)=C(OC)C(OC)=C24)N(CCC3=C1)S(=O)(=O)C(F)(F)F
InChIKey
InChIKey=TYWOHBYMLGYPND-ZDUSSCGKSA-N
Formula
C22H24F3NO7S
Mass
503.49
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 Alkyl aryl ethers Organosulfonamides Organic sulfonamides Sulfonyls Trihalomethanes Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoaporphine - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Ether - Azacycle - Organoheterocyclic compound - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - 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