Compound Identification
SMILES
COC1=C(O)C2=C3[C@H](CCC4=CC(OC)=C(OC)C(OC)=C24)N(C(O)C(=O)C3=C1)S(C)(=O)=O
InChIKey
InChIKey=NQNSTIZFOVWHPH-BJDAYTSDSA-N
Formula
C22H25NO9S
Mass
479.5
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 Aryl alkyl ketones Anisoles Phenols Alkyl aryl ethers Organosulfonamides Organic sulfonamides Sulfonyls Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives
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 - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Ketone - Alkanolamine - Organoheterocyclic compound - Azacycle - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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