1.0 2011-09-21 01:53:04 UTC 2015-07-21 06:59:40 UTC FDB029280 Salsolinol-1-carboxylate Salsolinol-1-carboxylic acid is an intermediate metabolite formed during the synthesis with dopamine and pyruvate towards the endogenous neurotoxin, 1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (salsolinol),which has been considered a potential causative factor for Parkinsons disease (PD) Salsolinol-1-carboxylic acid can be directly metabolized by an unknown enzyme to salsolinol or at first to 1,2-dehydrosalsolinol and then to salsolinol [HMDB] 1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid SAL-1C Salsolinol-1-carboxylic acid C11H13NO4 223.2252 223.084457909 (1S)-6,7-dihydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid 57256-34-5 C[C@@]1(NCCC2=C1C=C(O)C(O)=C2)C(O)=O InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1 XHGLVMDBZZZXDP-NSHDSACASA-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 Alpha amino acids Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Dialkylamines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline Solid logp -0.15 ALOGPS logs -1.51 ALOGPS solubility 6.94e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 1.14 ChemAxon pka_strongest_basic 8.56 ChemAxon iupac (1S)-6,7-dihydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid ChemAxon average_mass 223.2252 ChemAxon mono_mass 223.084457909 ChemAxon smiles C[C@@]1(NCCC2=C1C=C(O)C(O)=C2)C(O)=O ChemAxon formula C11H13NO4 ChemAxon inchi InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1 ChemAxon inchikey XHGLVMDBZZZXDP-NSHDSACASA-N ChemAxon polar_surface_area 89.79 ChemAxon refractivity 57.12 ChemAxon polarizability 22.05 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15650 Specdb::CMs 40049 Specdb::CMs 155065 Specdb::NmrOneD 11782 Specdb::NmrOneD 11783 Specdb::NmrOneD 11784 Specdb::NmrOneD 11785 Specdb::NmrOneD 11786 Specdb::NmrOneD 11787 Specdb::NmrOneD 11788 Specdb::NmrOneD 11789 Specdb::NmrOneD 11790 Specdb::NmrOneD 11791 Specdb::NmrOneD 11792 Specdb::NmrOneD 11793 Specdb::NmrOneD 11794 Specdb::NmrOneD 11795 Specdb::NmrOneD 11796 Specdb::NmrOneD 11797 Specdb::NmrOneD 11798 Specdb::NmrOneD 11799 Specdb::NmrOneD 11800 Specdb::NmrOneD 11801 Specdb::MsMs 300673 Specdb::MsMs 300674 Specdb::MsMs 300675 Specdb::MsMs 342997 Specdb::MsMs 342998 Specdb::MsMs 342999 Specdb::MsMs 2765096 Specdb::MsMs 2765097 Specdb::MsMs 2765098 Specdb::MsMs 2944165 Specdb::MsMs 2944166 Specdb::MsMs 2944167 HMDB13068