1.0 2011-09-21 00:08:04 UTC 2015-07-21 06:56:58 UTC FDB022075 3-Methoxy-4-hydroxyphenylglycol glucuronide 3-Methoxy-4-hydroxyphenylglycol (HMPG) glucuronide is the main form of HMPG in human urine. HMPG is a major metabolite of norepinephrine that is found in urine and cerebrospinal fluid (CSF). It has been determined that 25-50% of it is derived from brain norepinephrine. The conjugated form is reported to be derived mainly from the metabolism of systemic norepinephrine. (PMID 528605) [HMDB] 3-Methoxy-4-hydroxyphenylglycol glucuronide MHPG glucuronide C15H20O10 360.3133 360.10564686 (2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid mhpg glucuronide 52002-41-2 COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)CO InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1 VMWCOZPKGQMCRO-UICVJNQZSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Aromatic alcohols Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic heteromonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Glucuronic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Secondary alcohol Solid logp -1.56 ALOGPS logs -1.36 ALOGPS solubility 1.56e+01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.11 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 360.3133 ChemAxon mono_mass 360.10564686 ChemAxon smiles COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)CO ChemAxon formula C15H20O10 ChemAxon inchi InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1 ChemAxon inchikey VMWCOZPKGQMCRO-UICVJNQZSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 79.29 ChemAxon polarizability 33.7 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 144170 Specdb::NmrOneD 144171 Specdb::NmrOneD 144172 Specdb::NmrOneD 144173 Specdb::NmrOneD 144174 Specdb::NmrOneD 144175 Specdb::NmrOneD 144176 Specdb::NmrOneD 144177 Specdb::NmrOneD 144178 Specdb::NmrOneD 144179 Specdb::NmrOneD 144180 Specdb::NmrOneD 144181 Specdb::NmrOneD 144182 Specdb::NmrOneD 144183 Specdb::NmrOneD 144184 Specdb::NmrOneD 144185 Specdb::NmrOneD 144186 Specdb::NmrOneD 144187 Specdb::NmrOneD 144188 Specdb::NmrOneD 144189 Specdb::CMs 12212 Specdb::CMs 37570 Specdb::CMs 149199 Specdb::CMs 1063887 Specdb::CMs 1063888 Specdb::CMs 1063891 Specdb::CMs 1063893 Specdb::CMs 1063895 Specdb::CMs 1063897 Specdb::CMs 1063899 Specdb::CMs 1063901 Specdb::CMs 1063903 Specdb::CMs 1063904 Specdb::CMs 1063906 Specdb::CMs 1063908 Specdb::CMs 1063910 Specdb::CMs 1063912 Specdb::CMs 1063915 Specdb::CMs 1063916 Specdb::CMs 1063919 Specdb::CMs 1063920 Specdb::CMs 1063921 Specdb::CMs 1063923 Specdb::CMs 1063925 Specdb::CMs 1063927 Specdb::MsMs 80247 Specdb::MsMs 80248 Specdb::MsMs 80249 Specdb::MsMs 141066 Specdb::MsMs 141067 Specdb::MsMs 141068 Specdb::MsMs 2824876 Specdb::MsMs 2824877 Specdb::MsMs 2824878 Specdb::MsMs 2854252 Specdb::MsMs 2854253 Specdb::MsMs 2854254 HMDB00496 #<Reference:0x000055ce30259fc8> #<Reference:0x000055ce30259de8> #<Reference:0x000055ce30259be0> #<Reference:0x000055ce30259938> 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 Beta-glucuronidase P08236 GUSB UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-3 P35503 UGT1A3 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-5 P35504 UGT1A5 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2A1 Q9Y4X1 UGT2A1 UDP-glucuronosyltransferase 2A3 Q6UWM9 UGT2A3 UDP-glucuronosyltransferase 2B11 O75310 UGT2B11 UDP-glucuronosyltransferase 2B15 P54855 UGT2B15 UDP-glucuronosyltransferase 2B17 O75795 UGT2B17 UDP-glucuronosyltransferase 2B28 Q9BY64 UGT2B28 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7