1.0 2011-09-21 00:29:49 UTC 2015-07-21 06:57:43 UTC FDB023427 5-Hydroxydopamine 5-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinson's patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370) [HMDB] 3,4,5-Trihydroxyphenethylamine 3,4,5-Trihydroxyphenylethylamine 5-(2-aminoethyl)-Pyrogallol 5-(2-aminoethyl)1,2,3-Benzenetriol 5-(2-Aminoethyl)benzene-1,2,3-triol C8H11NO3 169.1778 169.073893223 5-(2-aminoethyl)benzene-1,2,3-triol 5-hydroxydopamine 1927-04-4 NCCC1=CC(O)=C(O)C(O)=C1 InChI=1S/C8H11NO3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,1-2,9H2 LCAINUZZHIZKKS-UHFFFAOYSA-N belongs to the class of organic compounds known as catecholamines and derivatives. Catecholamines and derivatives are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution. Catecholamines and derivatives Organic compounds Benzenoids Phenols Benzenediols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-arylethylamines Aralkylamines Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Phenethylamines Polyols Pyrogallols and derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylethylamine Amine Aralkylamine Aromatic homomonocyclic compound Benzenetriol Catecholamine Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Polyol Primary aliphatic amine Primary amine Pyrogallol derivative Solid logp -0.83 ALOGPS logs -1.49 ALOGPS solubility 5.52e+00 g/l ALOGPS logp -0.42 ChemAxon pka_strongest_acidic 9.9 ChemAxon pka_strongest_basic 8.99 ChemAxon iupac 5-(2-aminoethyl)benzene-1,2,3-triol ChemAxon average_mass 169.1778 ChemAxon mono_mass 169.073893223 ChemAxon smiles NCCC1=CC(O)=C(O)C(O)=C1 ChemAxon formula C8H11NO3 ChemAxon inchi InChI=1S/C8H11NO3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,1-2,9H2 ChemAxon inchikey LCAINUZZHIZKKS-UHFFFAOYSA-N ChemAxon polar_surface_area 86.71 ChemAxon refractivity 45.23 ChemAxon polarizability 17.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22853 Specdb::CMs 38811 Specdb::CMs 163188 Specdb::MsIr 2248 Specdb::MsIr 2249 Specdb::MsIr 2250 Specdb::NmrOneD 54522 Specdb::NmrOneD 54523 Specdb::NmrOneD 54524 Specdb::NmrOneD 54525 Specdb::NmrOneD 54526 Specdb::NmrOneD 54527 Specdb::NmrOneD 54528 Specdb::NmrOneD 54529 Specdb::NmrOneD 54530 Specdb::NmrOneD 54531 Specdb::NmrOneD 54532 Specdb::NmrOneD 54533 Specdb::NmrOneD 54534 Specdb::NmrOneD 54535 Specdb::NmrOneD 54536 Specdb::NmrOneD 54537 Specdb::NmrOneD 54538 Specdb::NmrOneD 54539 Specdb::NmrOneD 54540 Specdb::NmrOneD 54541 Specdb::MsMs 60474 Specdb::MsMs 60475 Specdb::MsMs 60476 Specdb::MsMs 116802 Specdb::MsMs 116803 Specdb::MsMs 116804 Specdb::MsMs 2710433 Specdb::MsMs 2710434 Specdb::MsMs 2710435 Specdb::MsMs 2994914 Specdb::MsMs 2994915 Specdb::MsMs 2994916 HMDB04817 #<Reference:0x00007f093c14bc10> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823