1.0 2011-09-21 01:53:03 UTC 2015-07-21 06:59:40 UTC FDB029279 Salsoline-1-carboxylate Salsoline-1-carboxylic acid is a intermidiate metabolite in the synthesis of Salsoline and it can be directly oxidized by certain enzyme It can also be synthesized through another intermediate metabolite Salsolinol 1-carboxylate via Catechol O-methyltransferase [HMDB] 1-methyl-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Salsoline-1-carboxylic acid SLN-1C C12H15NO4 237.2518 237.100107973 (1R)-6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinoline-1-carboxylic acid 31758-50-6 COC1=C(O)C=C2CCN[C@@](C)(C(O)=O)C2=C1 InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1 CJEFWISJWQNPSZ-GFCCVEGCSA-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 Alkyl aryl ethers Alpha amino acids Amino acids Anisoles 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 Alkyl aryl ether Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Ether 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 -0.54 ALOGPS logs -1.71 ALOGPS solubility 4.61e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic 8.92 ChemAxon iupac (1R)-6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid ChemAxon average_mass 237.2518 ChemAxon mono_mass 237.100107973 ChemAxon smiles COC1=C(O)C=C2CCN[C@@](C)(C(O)=O)C2=C1 ChemAxon formula C12H15NO4 ChemAxon inchi InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1 ChemAxon inchikey CJEFWISJWQNPSZ-GFCCVEGCSA-N ChemAxon polar_surface_area 78.79 ChemAxon refractivity 61.6 ChemAxon polarizability 24.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18685 Specdb::CMs 40048 Specdb::CMs 131229 Specdb::CMs 138963 Specdb::NmrOneD 11762 Specdb::NmrOneD 11763 Specdb::NmrOneD 11764 Specdb::NmrOneD 11765 Specdb::NmrOneD 11766 Specdb::NmrOneD 11767 Specdb::NmrOneD 11768 Specdb::NmrOneD 11769 Specdb::NmrOneD 11770 Specdb::NmrOneD 11771 Specdb::NmrOneD 11772 Specdb::NmrOneD 11773 Specdb::NmrOneD 11774 Specdb::NmrOneD 11775 Specdb::NmrOneD 11776 Specdb::NmrOneD 11777 Specdb::NmrOneD 11778 Specdb::NmrOneD 11779 Specdb::NmrOneD 11780 Specdb::NmrOneD 11781 Specdb::MsMs 307483 Specdb::MsMs 307484 Specdb::MsMs 307485 Specdb::MsMs 351448 Specdb::MsMs 351449 Specdb::MsMs 351450 Specdb::MsMs 3039325 Specdb::MsMs 3039326 Specdb::MsMs 3039327 Specdb::MsMs 3100390 Specdb::MsMs 3100391 Specdb::MsMs 3100392 HMDB13067