1.02010-04-08 22:04:34 UTC2019-11-26 02:54:47 UTCFDB000430(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-isoquinolinediol6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (S)-C10H13NO2179.2157179.094628665(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diolsalsolinol27740-96-1CC1NCCC2=C1C=C(O)C(O)=C2InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3IBRKLUSXDYATLG-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.TetrahydroisoquinolinesOrganic compoundsOrganoheterocyclic compoundsTetrahydroisoquinolinesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAralkylaminesAzacyclic compoundsDialkylaminesHydrocarbon derivativesOrganooxygen compoundsOrganopnictogen compounds1-hydroxy-2-unsubstituted benzenoidAmineAralkylamineAromatic heteropolycyclic compoundAzacycleBenzenoidHydrocarbon derivativeOrganic nitrogen compoundOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundSecondary aliphatic amineSecondary amineTetrahydroisoquinolineIsoquinoline alkaloidsisoquinolineslogp0.16logs-1.43solubility6.71e+00 g/lmelting_pointMp 174-175° (hydrobromide)logp1.07pka_strongest_acidic9.52pka_strongest_basic8.49iupac(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diolaverage_mass179.2157mono_mass179.094628665smilesCC1NCCC2=C1C=C(O)C(O)=C2formulaC10H13NO2inchiInChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3inchikeyIBRKLUSXDYATLG-UHFFFAOYSA-Npolar_surface_area52.49refractivity51polarizability19.37rotatable_bond_count0acceptor_count3donor_count3physiological_charge1formal_charge0Specdb::CMs5953Specdb::CMs47652Specdb::CMs170934Specdb::NmrOneD51082Specdb::NmrOneD51083Specdb::NmrOneD51084Specdb::NmrOneD51085Specdb::NmrOneD51086Specdb::NmrOneD51087Specdb::NmrOneD51088Specdb::NmrOneD51089Specdb::NmrOneD51090Specdb::NmrOneD51091Specdb::NmrOneD51092Specdb::NmrOneD51093Specdb::NmrOneD51094Specdb::NmrOneD51095Specdb::NmrOneD51096Specdb::NmrOneD51097Specdb::NmrOneD51098Specdb::NmrOneD51099Specdb::NmrOneD51100Specdb::NmrOneD51101Specdb::MsMs241306Specdb::MsMs241307Specdb::MsMs241308Specdb::MsMs243361Specdb::MsMs243362Specdb::MsMs243363Specdb::MsMs440167Specdb::MsMs445353Specdb::MsMs445354Specdb::MsMs2248692Specdb::MsMs2819208Specdb::MsMs2819209Specdb::MsMs2819210Specdb::MsMs2890561Specdb::MsMs2890562Specdb::MsMs2890563BananaType 1specificMusa acuminata4641Cocoa beanType 1specificTheobroma cacao3641French plantainType 1specificMusa X paradisiaca89151Opium poppyType 1specificPapaver somniferum3469dopamine blocker890A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons.