1.0 2011-09-21 00:11:43 UTC 2015-10-09 22:27:28 UTC FDB022297 Xanthurenic acid Xanthurenic acid is a metabolite from tryptophan catabolism. It is a substrate of the enzyme methyltransferases [EC 2.1.1.-] in pathway tryptophan metabolism (KEGG). [HMDB] 4-oxoxanthurenic acid 4,8-Dihydroxy-2-quinolinecarboxylate 4,8-Dihydroxy-2-quinolinecarboxylic acid 4,8-dihydroxy-Quinaldate 4,8-dihydroxy-Quinaldic acid 4,8-Dihydroxyquinaldate 4,8-Dihydroxyquinaldic acid 4,8-Dihydroxyquinaldinate 4,8-Dihydroxyquinaldinic acid 4,8-Dihydroxyquinoline-2-carboxylate 4,8-Dihydroxyquinoline-2-carboxylic acid 8-Hydroxykynurenate 8-Hydroxykynurenic acid oxoxanthurenate Xanthurate Xanthurenate Xanthuric acid C10H7NO4 205.1669 205.037507717 4,8-dihydroxyquinoline-2-carboxylic acid xanthurenic acid 59-00-7 OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1 InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. Quinoline carboxylic acids Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 8-hydroxyquinolines Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Hydroxyquinolines Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 8-hydroxyquinoline Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Dihydroquinoline Dihydroquinolone Heteroaromatic compound Hydrocarbon derivative Hydroxyquinoline Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-2-carboxylic acid Vinylogous amide dihydroxyquinoline quinolinemonocarboxylic acid Solid logp 2.01 ALOGPS logs -2.10 ALOGPS solubility 1.63e+00 g/l ALOGPS logp -0.17 ChemAxon pka_strongest_acidic 1.14 ChemAxon pka_strongest_basic 5.75 ChemAxon iupac 4,8-dihydroxyquinoline-2-carboxylic acid ChemAxon average_mass 205.1669 ChemAxon mono_mass 205.037507717 ChemAxon smiles OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1 ChemAxon formula C10H7NO4 ChemAxon inchi InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) ChemAxon inchikey FBZONXHGGPHHIY-UHFFFAOYSA-N ChemAxon polar_surface_area 90.65 ChemAxon refractivity 50.83 ChemAxon polarizability 19.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Tryptophan Metabolism SMP00063 map00380 Specdb::NmrTwoD 1523 Specdb::MsIr 937 Specdb::MsIr 938 Specdb::MsIr 939 Specdb::CMs 661 Specdb::CMs 1899 Specdb::CMs 3465 Specdb::CMs 30097 Specdb::CMs 30714 Specdb::CMs 31253 Specdb::CMs 37822 Specdb::CMs 168339 Specdb::CMs 1080906 Specdb::CMs 1080908 Specdb::CMs 1080910 Specdb::CMs 1080912 Specdb::CMs 1080914 Specdb::CMs 1080916 Specdb::CMs 1080918 Specdb::CMs 1080920 Specdb::CMs 1080922 Specdb::CMs 1080923 Specdb::CMs 1080925 Specdb::CMs 1080927 Specdb::CMs 1080929 Specdb::NmrOneD 1581 Specdb::NmrOneD 4704 Specdb::NmrOneD 145670 Specdb::NmrOneD 145671 Specdb::NmrOneD 145672 Specdb::NmrOneD 145673 Specdb::NmrOneD 145674 Specdb::NmrOneD 145675 Specdb::NmrOneD 145676 Specdb::NmrOneD 145677 Specdb::NmrOneD 145678 Specdb::NmrOneD 145679 Specdb::NmrOneD 145680 Specdb::NmrOneD 145681 Specdb::NmrOneD 145682 Specdb::NmrOneD 145683 Specdb::NmrOneD 145684 Specdb::NmrOneD 145685 Specdb::NmrOneD 145686 Specdb::NmrOneD 145687 Specdb::NmrOneD 145688 Specdb::NmrOneD 145689 Specdb::MsMs 1241 Specdb::MsMs 1242 Specdb::MsMs 1243 Specdb::MsMs 4755 Specdb::MsMs 4756 Specdb::MsMs 4757 Specdb::MsMs 4758 Specdb::MsMs 4759 Specdb::MsMs 4760 Specdb::MsMs 180228 Specdb::MsMs 180229 Specdb::MsMs 180230 Specdb::MsMs 182562 Specdb::MsMs 182563 Specdb::MsMs 182564 Specdb::MsMs 374372 Specdb::MsMs 437036 Specdb::MsMs 437037 Specdb::MsMs 437038 Specdb::MsMs 437039 Specdb::MsMs 437040 Specdb::MsMs 438598 Specdb::MsMs 438599 Specdb::MsMs 438600 Specdb::MsMs 438601 HMDB00881 #<Reference:0x00007f93e62d5d30> #<Reference:0x00007f93e62d5ab0> #<Reference:0x00007f93e62d58f8> #<Reference:0x00007f93e62d5740> #<Reference:0x00007f93e62d5588> #<Reference:0x00007f93e62d53a8> #<Reference:0x00007f93e62d51f0> #<Reference:0x00007f93e62d5038> #<Reference:0x00007f93e62d4e80> #<Reference:0x00007f93e62d4cc8> 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