1.0 2011-09-21 00:25:18 UTC 2015-10-09 22:32:38 UTC FDB023144 3-Methoxy-4-Hydroxyphenylglycol sulfate A sulfated metabolite of brain norepinephrine. It is formed by phenolsulphotransferase acting on 3-methoxy-4-hydroxphenylglycol (MHPG). [HMDB] (3-Methoxy-4-sulfonyloxyphenyl)glycol 3-Methoxy-4-Hydroxyphenyl Glycol Sulfate 3-Methoxy-4-Hydroxyphenylglycol Sulfate 3-Methoxy-4-Hydroxyphenylglycol Sulfic acid 4-Hydroxy-3-methoxyphenylglycol sulfate 4-Hydroxy-3-methoxyphenylglycol sulphate 4-hydroxy-3methoxyphenylglycol sulfate MHPG-sulfate MHPG-sulphate C9H12O7S 264.252 264.030373428 [2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethoxy]sulfonic acid mhpg-sulfate 71324-20-4 COC1=C(O)C=CC(=C1)C(CO)OS(O)(=O)=O InChI=1S/C9H12O7S/c1-15-8-4-6(2-3-7(8)11)9(5-10)16-17(12,13)14/h2-4,9-11H,5H2,1H3,(H,12,13,14) SBKADJXSGGTEPN-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Alkyl sulfates Anisoles Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Primary alcohols Sulfuric acid monoesters 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Alkyl sulfate Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Phenol ether Phenoxy compound Primary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp -1.18 ALOGPS logs -1.79 ALOGPS solubility 4.33e+00 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic -2 ChemAxon pka_strongest_basic -3 ChemAxon iupac [2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethoxy]sulfonic acid ChemAxon average_mass 264.252 ChemAxon mono_mass 264.030373428 ChemAxon smiles COC1=C(O)C=CC(=C1)C(CO)OS(O)(=O)=O ChemAxon formula C9H12O7S ChemAxon inchi InChI=1S/C9H12O7S/c1-15-8-4-6(2-3-7(8)11)9(5-10)16-17(12,13)14/h2-4,9-11H,5H2,1H3,(H,12,13,14) ChemAxon inchikey SBKADJXSGGTEPN-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 57.27 ChemAxon polarizability 23.99 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22167 Specdb::CMs 38571 Specdb::CMs 137307 Specdb::CMs 145041 Specdb::NmrTwoD 1885 Specdb::NmrOneD 1951 Specdb::NmrOneD 149500 Specdb::NmrOneD 149501 Specdb::NmrOneD 149502 Specdb::NmrOneD 149503 Specdb::NmrOneD 149504 Specdb::NmrOneD 149505 Specdb::NmrOneD 149506 Specdb::NmrOneD 149507 Specdb::NmrOneD 149508 Specdb::NmrOneD 149509 Specdb::NmrOneD 149510 Specdb::NmrOneD 149511 Specdb::NmrOneD 149512 Specdb::NmrOneD 149513 Specdb::NmrOneD 149514 Specdb::NmrOneD 149515 Specdb::NmrOneD 149516 Specdb::NmrOneD 149517 Specdb::NmrOneD 149518 Specdb::NmrOneD 149519 Specdb::NmrOneD 166598 Specdb::MsMs 2248 Specdb::MsMs 2249 Specdb::MsMs 2250 Specdb::MsMs 315217 Specdb::MsMs 315218 Specdb::MsMs 315219 Specdb::MsMs 361141 Specdb::MsMs 361142 Specdb::MsMs 361143 Specdb::MsMs 2301180 Specdb::MsMs 2301181 Specdb::MsMs 2301182 Specdb::MsMs 3065066 Specdb::MsMs 3065067 Specdb::MsMs 3065068 HMDB03332 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