Compound Identification
SMILES
COC1=C(O)C2=C3[C@H](CCC4=CC(OC)=C(OC)C(OC)=C24)N(CC(=O)C3=C1)S(=O)(=O)C(F)(F)F
InChIKey
InChIKey=OZTKCURXTLGONV-LBPRGKRZSA-N
Formula
C22H22F3NO8S
Mass
517.47
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
Isoquinolones and derivatives Tetrahydroisoquinolines Anisoles Aryl alkyl ketones Alkyl aryl ethers Phenols Organosulfonamides Organic sulfonamides Sulfonyls Trihalomethanes Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoaporphine - Isoquinolone - Tetrahydroisoquinoline - Anisole - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Phenol - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Ketone - Azacycle - Organoheterocyclic compound - Ether - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Halomethane - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - 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