1.02011-09-21 00:04:14 UTC2015-07-21 06:56:49 UTCFDB0218682-Methoxyestrone2-methoxyestrone is a steroid derivative that is a byproduct of estrone and 2-hydroxyestrone metabolism. It is part of the androgen and estrogen metabolic pathway. The acid ionization constant (pKa) of 2-methoxyestrone is 10.81 (PMID: 516114). 2-Methoxyestrone can be metabolized to a sulfated derivative (2-Methoxyestrone 3-sulfate) via steroid sulfotransferase (EC 2.8.2.15). It can also be glucuronidated to 2-Methoxyestrone 3-glucuronide by UDP glucuronosyltransferase (EC 2.4.1.17). [HMDB]2-(8S,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one2-Hydroxyestrone 2-methyl ether2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one3-hydroxy-2-methoxy-Estra-1,3,5(10)-trien-17-one3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-onemethoxy-EstroneC19H24O3300.3921300.172544634362-08-3[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1WHEUWNKSCXYKBU-QPWUGHHJSA-N belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.Estrogens and derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesEstrane steroidsAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoids17-oxosteroids3-hydroxysteroidsAlkyl aryl ethersAnisolesHydrocarbon derivativesKetonesOrganic oxidesPhenanthrenes and derivativesTetralins1-hydroxy-2-unsubstituted benzenoid17-oxosteroid3-hydroxysteroidAlkyl aryl etherAnisoleAromatic homopolycyclic compoundBenzenoidCarbonyl groupEstrogen-skeletonEtherHydrocarbon derivativeHydroxysteroidKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxosteroidPhenanthreneTetralin17-oxo steroid3-hydroxy steroidC18 steroids (estrogens) and derivativesC18 steroids (estrogens) and derivativesalicyclic ketonephenolsSolidaverage_mass300.3921mono_mass300.172544634smiles[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3formulaC19H24O3inchiInChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1inchikeyWHEUWNKSCXYKBU-QPWUGHHJSA-NSpecdb::NmrTwoD919Specdb::NmrOneD1026Specdb::NmrOneD297235Specdb::NmrOneD297236Specdb::NmrOneD297237Specdb::NmrOneD297238Specdb::NmrOneD297239Specdb::NmrOneD297240Specdb::NmrOneD297241Specdb::NmrOneD297242Specdb::NmrOneD297243Specdb::NmrOneD297244Specdb::NmrOneD297245Specdb::NmrOneD297246Specdb::NmrOneD297247Specdb::NmrOneD297248Specdb::NmrOneD297249Specdb::NmrOneD297250Specdb::NmrOneD297251Specdb::NmrOneD297252Specdb::NmrOneD297253Specdb::NmrOneD297254Specdb::MsMs13Specdb::MsMs14Specdb::MsMs15Specdb::MsMs317137Specdb::MsMs317138Specdb::MsMs317139Specdb::MsMs363541Specdb::MsMs363542Specdb::MsMs363543Specdb::MsMs2280640Specdb::MsMs2280641Specdb::MsMs2280642Specdb::MsMs3084619Specdb::MsMs3084620Specdb::MsMs3084621Specdb::CMs2161Specdb::CMs2170Specdb::CMs23019Specdb::CMs30947Specdb::CMs30948Specdb::CMs37240Specdb::CMs148719Specdb::CMs1046875Specdb::CMs1046877Specdb::CMs1046879HMDB00010#<Reference:0x000055567634a428>#<Reference:0x000055567634a1f8>#<Reference:0x0000555676349f28>#<Reference:0x0000555676349d20>#<Reference:0x0000555676349ac8>#<Reference:0x00005556763497a8>#<Reference:0x0000555676349578>#<Reference:0x0000555676349230>#<Reference:0x0000555676348ec0>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Sex hormone-binding globulinP04278SHBGUDP-glucuronosyltransferase 1-1P22309UGT1A1UDP-glucuronosyltransferase 1-10Q9HAW8UGT1A10UDP-glucuronosyltransferase 1-3P35503UGT1A3UDP-glucuronosyltransferase 1-4P22310UGT1A4UDP-glucuronosyltransferase 1-5P35504UGT1A5UDP-glucuronosyltransferase 1-6P19224UGT1A6UDP-glucuronosyltransferase 1-7Q9HAW7UGT1A7UDP-glucuronosyltransferase 1-8Q9HAW9UGT1A8UDP-glucuronosyltransferase 1-9O60656UGT1A9UDP-glucuronosyltransferase 2A1Q9Y4X1UGT2A1UDP-glucuronosyltransferase 2A3Q6UWM9UGT2A3UDP-glucuronosyltransferase 2B10P36537UGT2B10UDP-glucuronosyltransferase 2B11O75310UGT2B11UDP-glucuronosyltransferase 2B15P54855UGT2B15UDP-glucuronosyltransferase 2B17O75795UGT2B17UDP-glucuronosyltransferase 2B28Q9BY64UGT2B28UDP-glucuronosyltransferase 2B4P06133UGT2B4UDP-glucuronosyltransferase 2B7P16662UGT2B7