1.0 2010-04-08 22:04:34 UTC 2025-11-18 22:18:08 UTC FDB000430 (S)-Salsolinol (r)-salsolinol, also known as salsolinol, (+-)-isomer or 1-methyl-6,7-dihydroxytetrahydroisoquinoline, is a member of the class of compounds known as tetrahydroisoquinolines. Tetrahydroisoquinolines are tetrahydrogenated isoquinoline derivatives (r)-salsolinol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (r)-salsolinol can be found in cocoa and cocoa products and fruits, which makes (r)-salsolinol a potential biomarker for the consumption of these food products (r)-salsolinol can be found primarily in blood, cerebrospinal fluid (CSF), and feces. Moreover, (r)-salsolinol is found to be associated with hypertension, multiple system atrophy, and parkinson's disease. (-)-Salsolinol (S)-1,2,3,4-Tetrahydro-1-methyl-6,7-isoquinolinediol 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (S)- C10H13NO2 179.2157 179.094628665 (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol salsolinol 27740-96-1 CC1NCCC2=C1C=C(O)C(O)=C2 InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3 IBRKLUSXDYATLG-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Tetrahydroisoquinolines Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds 1-hydroxy-2-unsubstituted benzenoid Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline Isoquinoline alkaloids isoquinolines logp 0.16 ALOGPS logs -1.43 ALOGPS solubility 6.71e+00 g/l ALOGPS melting_point Mp 174-175° (hydrobromide) logp 1.07 ChemAxon pka_strongest_acidic 9.52 ChemAxon pka_strongest_basic 8.49 ChemAxon iupac (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol ChemAxon average_mass 179.2157 ChemAxon mono_mass 179.094628665 ChemAxon smiles CC1NCCC2=C1C=C(O)C(O)=C2 ChemAxon formula C10H13NO2 ChemAxon inchi InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3 ChemAxon inchikey IBRKLUSXDYATLG-UHFFFAOYSA-N ChemAxon polar_surface_area 52.49 ChemAxon refractivity 51 ChemAxon polarizability 19.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5953 Specdb::CMs 47652 Specdb::CMs 170934 Specdb::MsMs 241306 Specdb::MsMs 241307 Specdb::MsMs 241308 Specdb::MsMs 243361 Specdb::MsMs 243362 Specdb::MsMs 243363 Specdb::MsMs 440167 Specdb::MsMs 445353 Specdb::MsMs 445354 Specdb::MsMs 2248692 Specdb::MsMs 2819208 Specdb::MsMs 2819209 Specdb::MsMs 2819210 Specdb::MsMs 2890561 Specdb::MsMs 2890562 Specdb::MsMs 2890563 Specdb::NmrOneD 51082 Specdb::NmrOneD 51083 Specdb::NmrOneD 51084 Specdb::NmrOneD 51085 Specdb::NmrOneD 51086 Specdb::NmrOneD 51087 Specdb::NmrOneD 51088 Specdb::NmrOneD 51089 Specdb::NmrOneD 51090 Specdb::NmrOneD 51091 Specdb::NmrOneD 51092 Specdb::NmrOneD 51093 Specdb::NmrOneD 51094 Specdb::NmrOneD 51095 Specdb::NmrOneD 51096 Specdb::NmrOneD 51097 Specdb::NmrOneD 51098 Specdb::NmrOneD 51099 Specdb::NmrOneD 51100 Specdb::NmrOneD 51101 HMDB0042012 Banana Type 1 specific Musa acuminata 4641 Cocoa bean Type 1 specific Theobroma cacao 3641 French plantain Type 1 specific Musa X paradisiaca 89151 Opium poppy Type 1 specific Papaver somniferum 3469 Dopamine blocker 890 A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons.