1.0 2010-04-08 22:04:32 UTC 2019-11-26 02:54:40 UTC FDB000362 Estradiol Growth promoter for livestock. Permitted in the USA Estradiol (E2 or 17?-estradiol, also oestradiol) is a sex hormone. Estradiol is found in common bean and pomegranate. (+)-3,17b-Estradiol (+)-3,17beta-Estradiol (17b)-Estra-1,3,5(10)-triene-3,17-diol (17beta)-Estra-1,3,5(10)-triene-3,17-diol (17beta)-Estra-1(10),2,4-triene-3,17-diol (17β)-estra-1,3,5(10)-triene-3,17-diol 1,3,5-Estratriene-3,17-beta-diol 1,3,5-Estratriene-3,17&beta;-diol 1,3,5,(10)-Estratrien-3,17&beta;-diol 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol 17-beta-Estra-1,3,5(10)-triene-3,17-diol 17-beta-Estradiol 17-beta-Oestra-1,3,5(10)-triene-3,17-diol 17-beta-OH-Estradiol 17-beta-OH-Oestradiol 17&beta;-Estra-1,3,5(10)-triene-3,17-diol 17&beta;-Estradiol 17&beta;-Oestra-1,3,5(10)-triene-3,17-diol 17&beta;-Oestradiol 17b Oestradiol 17b-Estra-1,3,5(10)-triene-3,17-diol 17b-Estradiol 17b-Oestradiol 17beta Oestradiol 17beta-Estra-1,3,5(10)-triene-3,17-diol 17beta-Estradiol 17beta-Oestra-1,3,5(10)-triene-3,17-diol 17beta-Oestradiol 17β oestradiol 17β-estra-1,3,5(10)-triene-3,17-diol 17β-estradiol 17β-oestradiol 3,17-&beta;-Oestradiol 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene 3,17-beta-Dihydroxyestra-1,3,5(10)-triene 3,17-beta-Dihydroxyoestra-1,3,5-triene 3,17-beta-Estradiol 3,17-beta-Oestradiol 3,17-Epidihydroxyestratriene 3,17&beta;-Dihydroxy-1, 3,5(10)-oestratriene 3,17&beta;-Dihydroxy-1,3,5(10)-estratriene 3,17&beta;-Dihydroxy-1,3,5(10)-oestratriene 3,17&beta;-Dihydroxyestra-1,3,5-triene 3,17&beta;-Dihydroxyestra-1,3,5(10)-triene 3,17&beta;-Dihydroxyoestra-1,3,5-triene 3,17&beta;-Estradiol 3,17b-Dihydroxyestra-1,3,5(10)-triene 3,17b-Estradiol 3,17beta-Dihydroxyestra-1,3,5-triene 3,17beta-Dihydroxyestra-1,3,5(10)-triene 3,17beta-Dihydroxyoestra-1,3,5-triene 3,17beta-Estradiol Aerodiol Agofollin Altrad Amnestrogen Aquadiol b-Estradiol Bardiol beta-Estradiol cis-Estradiol cis-Oestradiol Climaderm Climara Compudose Corpagen D-3,17-beta-Estradiol D-3,17-beta-Oestradiol D-3,17&beta;-Estradiol D-3,17&beta;-Oestradiol D-3,17beta-Estradiol D-3,17beta-Oestradiol D-Estradiol D-Oestradiol delta-Estradiol delta-Oestradiol Dermestril dihydro-Theelin Dihydrofollicular hormone Dihydrofolliculin Dihydromenformon Dihydrotheelin Dihydroxyestrin Dimenformon Diogyn Diogynets Divigel Encore Epiestriol 50 Estra-1,3,5(10)-triene-3,17b-diol Estrace Estraderm tts Estradiol-17-beta Estradiol-17b Estradiol-17beta Estradiol-17β Estradiol, INN, USAN Estradot Estraldine Estring vaginal ring Estroclim Estroclim 50 Estrogel Estrogel hbf Estrovite Evorel Femestral Femogen Follicyclin Gelestra Ginosedol Gynergon Gynoestryl Lamdiol Macrodiol Menorest Nordicol Oesclim Oestergon Oestra-1,3,5(10)-triene-3,17-beta-diol Oestra-1,3,5(10)-triene-3,17&beta;-diol Oestra-1,3,5(10)-triene-3,17b-diol Oestra-1,3,5(10)-triene-3,17beta-diol Oestradiol Oestradiol, BAN Oestrogel Oestroglandol Ovahormon Ovasterol Ovastevol Ovocyclin Ovocylin Perlatanol Primofol Profoliol Profoliol b Progynon Progynon dh Sandrena 1 Syndiol Systen Vivelle Zumenon β-estradiol C18H24O2 272.382 272.177630012 (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol 50-28-2 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 VOXZDWNPVJITMN-ZBRFXRBCSA-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 derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 17-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 17-hydroxysteroid 3-hydroxysteroid Alcohol Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Secondary alcohol Tetralin 17beta-hydroxy steroid C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives Estrane and derivatives Estrogens estradiol Solid logp 3.57 ALOGPS logs -4.11 ALOGPS solubility 2.13e-02 g/l ALOGPS melting_point Mp 178° logp 3.75 ChemAxon pka_strongest_acidic 10.33 ChemAxon pka_strongest_basic -0.88 ChemAxon iupac (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol ChemAxon average_mass 272.382 ChemAxon mono_mass 272.177630012 ChemAxon smiles [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 ChemAxon formula C18H24O2 ChemAxon inchi InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 ChemAxon inchikey VOXZDWNPVJITMN-ZBRFXRBCSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 79.9 ChemAxon polarizability 32.12 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Androgen and Estrogen Metabolism SMP00068 map00150 Specdb::EiMs 847 Specdb::NmrOneD 1112 Specdb::NmrTwoD 1171 Specdb::CMs 2067 Specdb::CMs 14708 Specdb::CMs 27518 Specdb::CMs 27727 Specdb::CMs 28720 Specdb::CMs 29608 Specdb::CMs 31026 Specdb::CMs 37323 Specdb::CMs 174888 Specdb::CMs 1051648 Specdb::CMs 1051650 Specdb::CMs 1051652 Specdb::CMs 1051653 Specdb::CMs 1051655 Specdb::MsMs 230 Specdb::MsMs 231 Specdb::MsMs 232 Specdb::MsMs 3101 Specdb::MsMs 3102 Specdb::MsMs 3103 Specdb::MsMs 3104 Specdb::MsMs 250644 Specdb::MsMs 250645 Specdb::MsMs 250646 Specdb::MsMs 270582 Specdb::MsMs 270583 Specdb::MsMs 270584 Specdb::MsMs 439749 Specdb::MsMs 449067 Specdb::MsMs 449068 Specdb::MsMs 449069 Specdb::MsMs 449070 Specdb::MsMs 2240159 Specdb::MsMs 2240739 Specdb::MsMs 2240967 Specdb::MsMs 2241572 Specdb::MsMs 2244287 Specdb::MsMs 2244939 Specdb::MsMs 2245052 HMDB00151 16469 EST #<Reference:0x000055ce334ac110> #<Reference:0x00007f093c16fe80> #<Reference:0x00007f093c16fcc8> #<Reference:0x00007f093c16fb10> #<Reference:0x00007f093c16f958> #<Reference:0x00007f093c16f7a0> #<Reference:0x00007f093c16f5e8> #<Reference:0x00007f093c16f430> #<Reference:0x00007f093c16f278> #<Reference:0x00007f093c16f0c0> #<Reference:0x00007f093c16ef08> #<Reference:0x00007f093c16ed50> #<Reference:0x00007f093c16eb98> #<Reference:0x00007f093c16e9e0> #<Reference:0x00007f093c16e828> #<Reference:0x00007f093c16e670> #<Reference:0x00007f093c16e4b8> #<Reference:0x00007f093c16e300> #<Reference:0x00007f093c16e148> #<Reference:0x00007f093c16df90> #<Reference:0x00007f093c16ddd8> #<Reference:0x00007f093c16dc20> #<Reference:0x00007f093c16da68> #<Reference:0x00007f093c16d8b0> #<Reference:0x00007f093c16d6f8> #<Reference:0x00007f093c16d540> #<Reference:0x00007f093c16d388> #<Reference:0x00007f093c16d1d0> #<Reference:0x00007f093c16d018> #<Reference:0x00007f093c16ce60> #<Reference:0x00007f093c16cca8> 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 Common bean Type 1 specific Phaseolus vulgaris 3885 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 Milk (Cow) Type 2 specific 0.000132 0.00118 0.00000147 uM 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 Pomegranate Type 1 specific Punica granatum 22663 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 Cytochrome P450 2D6 Q6NWU0 CYP2D6 Cytochrome P450, family 1, subfamily A, polypeptide 1 A0N0X8 CYP1A1 Estrogen receptor P03372 ESR1 Estrogen receptor beta Q92731 ESR2 Nuclear receptor subfamily 1 group I member 2 O75469 NR1I2 Sex hormone-binding globulin P04278 SHBG UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-10 Q9HAW8 UGT1A10 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 1-7 Q9HAW7 UGT1A7 UDP-glucuronosyltransferase 1-8 Q9HAW9 UGT1A8 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2A1 Q9Y4X1 UGT2A1 UDP-glucuronosyltransferase 2A3 Q6UWM9 UGT2A3 UDP-glucuronosyltransferase 2B10 P36537 UGT2B10 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 Carcinogenic 762 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. Estrogenic 922 Topoisomerase-I inhibitor 1368 A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA.