1.0 2011-09-21 01:49:59 UTC 2015-07-21 06:59:37 UTC FDB029092 (R)-1,2-Dimethyl-5,6-dihydroxy-tetrahydroisoquinoline This compound is a derivative of Tetrahydroisoquinoline, which is involved in the Tyrosine metabolism as a reaction product of S-adenosyl L-methionine with salsolinol Tetrahydroisoquinoline derivatives may be formed in the body as metabolites of some drugs, and this was once thought to be involved in the development of alcoholism.This theory has now been discredited and is no longer generally accepted by the scientific community, but endogenous production of neurotoxic tetrahydroisoquinoline derivatives such as norsalsolinol continue to be investigated as possible causes for some conditions such as Parkinson's disease. [HMDB] C11H15NO2 193.2423 193.110278729 (1R)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-5,6-diol (1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol C[C@H]1N(C)CCC2=C1C=CC(O)=C2O InChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1 AASFZUCQPYZSBW-SSDOTTSWSA-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 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Trialkylamines 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline Solid logp 1.21 ALOGPS logs -0.86 ALOGPS solubility 2.66e+01 g/l ALOGPS logp 1.59 ChemAxon pka_strongest_acidic 6.88 ChemAxon pka_strongest_basic 10.33 ChemAxon iupac (1R)-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-5,6-diol ChemAxon average_mass 193.2423 ChemAxon mono_mass 193.110278729 ChemAxon smiles C[C@H]1N(C)CCC2=C1C=CC(O)=C2O ChemAxon formula C11H15NO2 ChemAxon inchi InChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/t7-/m1/s1 ChemAxon inchikey AASFZUCQPYZSBW-SSDOTTSWSA-N ChemAxon polar_surface_area 43.7 ChemAxon refractivity 56.29 ChemAxon polarizability 21.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17471 Specdb::CMs 39930 Specdb::CMs 135975 Specdb::CMs 143709 Specdb::MsIr 2771 Specdb::MsIr 2772 Specdb::MsIr 2773 Specdb::MsMs 304621 Specdb::MsMs 304622 Specdb::MsMs 304623 Specdb::MsMs 347884 Specdb::MsMs 347885 Specdb::MsMs 347886 Specdb::MsMs 2782354 Specdb::MsMs 2782355 Specdb::MsMs 2782356 Specdb::MsMs 2926057 Specdb::MsMs 2926058 Specdb::MsMs 2926059 Specdb::NmrOneD 97558 Specdb::NmrOneD 97559 Specdb::NmrOneD 97560 Specdb::NmrOneD 97561 Specdb::NmrOneD 97562 Specdb::NmrOneD 97563 Specdb::NmrOneD 97564 Specdb::NmrOneD 97565 Specdb::NmrOneD 97566 Specdb::NmrOneD 97567 Specdb::NmrOneD 97568 Specdb::NmrOneD 97569 Specdb::NmrOneD 97570 Specdb::NmrOneD 97571 Specdb::NmrOneD 97572 Specdb::NmrOneD 97573 Specdb::NmrOneD 97574 Specdb::NmrOneD 97575 Specdb::NmrOneD 97576 Specdb::NmrOneD 97577 HMDB12484