1.0 2010-04-08 22:07:18 UTC 2019-11-26 03:01:18 UTC FDB006781 Estriol Estriol (also oestriol) is one of the three main estrogens produced by the human body. Estriol is found in common bean and pomegranate. (16α,17β)-Estra-1,3,5(10)-triene-3,16,17-triol (16α,17β)-Oestra-1,3,5(10)-triene-3,16,17-triol (16a,17b)-Estra-1,3,5(10)-triene-3,16,17-triol (16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol (16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol (16α,17β)-estra-1,3,5(10)-triene-3,16,17-triol 1,3,5(10)-Estratrien-3,16α,17β-triol 1,3,5(10)-Estratriene-3,16-a,17b-triol 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol 1,3,5(10)-Estratriene-3,16-α,17β-triol 1,3,5(10)-Estratriene-3,16,17-Triol 1,3,5(10)-Estratriene-3,16α,17β-Triol 1,3,5(10)-Estratriene-3,16alpha,17beta-triol 13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol 16-alpha-Hydroxyestradiol 16-alpha-Hydroxyoestradiol 16-alpha,17-beta-Estriol 16-alpha,17-beta-Oestriol 16-hydroxyestradiol 16α-Estriol 16α-Hydroxy-17β-estradiol 16α-Hydroxyestradiol 16α-Hydroxyoestradiol 16α,17β-Estriol 16α,17β-Oestriol 16a-Estriol 16a-Hydroxyestradiol 16a,17b-Estriol 16alpha-Hydroxy-17beta-estradiol 16alpha-Hydroxyestradiol 16alpha-Hydroxyoestradiol 16alpha,17beta-Estriol 16alpha,17beta-Oestriol 16α-hydroxyestradiol 3,16-α,17-β-Oestriol 3,16-α,17-β-Trihydroxyoestra-1,3,5(10)-triene 3,16-alpha,17-beta-Estriol 3,16-alpha,17-beta-Oestriol 3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene 3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene 3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene 3,16-alpha,17-beta-Trihydroxyoestra-1,3,5(10)-triene 3,16α,17β-Estriol 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 3,16α,17β-Trihydroxyestra-1,3,5(10)-triene 3,16a,17b-Estriol 3,16a,17b-Trihydroxy-delta(1,3,5)-estratriene 3,16a,17b-Trihydroxy-δ(1,3,5)-estratriene 3,16a,17b-Trihydroxyestra-1,3,5(10)-triene 3,16alpha,17beta-Estriol 3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene 3,16alpha,17beta-Trihydroxy-Delta(1,3,5)-estratriene 3,16alpha,17beta-Trihydroxyestra-1,3,5(10)-triene 3,16α,17β-trihydroxy-δ(1,3,5)-estratriene Aacifemine Colpogyn Colpovister Destriol Deuslon a Deuslon-a Estra-1,3,5(10)-trien-3,16α,17β-triol Estra-1,3,5(10)-trien-3,16alpha,17beta-triol Estra-1,3,5(10)-triene-3,16,17-triol, (16α,17β)- Estra-1,3,5(10)-triene-3,16,17-triol, (16alpha,17beta)- Estra-1,3,5(10)-triene-3,16α,17β-triol Estra-1,3,5(10)-triene-3,16a,17b-triol Estra-1,3,5(10)-triene-3,16alpha,17beta-triol Estratriol Estriel Estriol Follicular hormone hydrate Gynaesan Gynasan Hemostyptanon Holin v Hormomed Incurin Klimax e Klimoral Oekolp Oestra-1,3,5(10)-triene-3,16-alpha,17-beta-triol Oestra-1,3,5(10)-triene-3,16α, 17β-triol Oestra-1,3,5(10)-triene-3,16alpha,17beta-triol Oestratriol Oestriol Oestriolum Orestin Orgastyptin ortho-Gynest Overstin Ovesterin Ovestin Ovestinon Ovestrion Ovo-vinces Theelol Tridestrin Trihydroxyestrin Trihydroxyoestrin Triovex C18H24O3 288.3814 288.172544634 (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol 50-27-1 [H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-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 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 16-alpha-hydroxysteroids 17-hydroxysteroids 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Phenanthrenes and derivatives Secondary alcohols Tetralins 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 16-alpha-hydroxysteroid 16-hydroxysteroid 17-hydroxysteroid 3-hydroxysteroid Alcohol Aromatic homopolycyclic compound Benzenoid Cyclic alcohol Estrogen-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Phenanthrene Polyol Secondary alcohol Tetralin 16alpha-hydroxy steroid 17beta-hydroxy steroid 3-hydroxy steroid C18 steroids (estrogens) and derivatives C18 steroids (estrogens) and derivatives Estrane and derivatives Estrogens Solid logp 2.54 ALOGPS logs -3.38 ALOGPS solubility 1.19e-01 g/l ALOGPS melting_point 282 oC logp 2.67 ChemAxon pka_strongest_acidic 10.33 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol ChemAxon average_mass 288.3814 ChemAxon mono_mass 288.172544634 ChemAxon smiles [H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 ChemAxon formula C18H24O3 ChemAxon inchi InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 ChemAxon inchikey PROQIPRRNZUXQM-ZXXIGWHRSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 81.27 ChemAxon polarizability 33.08 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1173 Specdb::EiMs 127 Specdb::NmrOneD 1114 Specdb::CMs 2191 Specdb::CMs 8866 Specdb::CMs 27517 Specdb::CMs 31028 Specdb::CMs 37325 Specdb::CMs 168636 Specdb::CMs 1051680 Specdb::CMs 1051682 Specdb::CMs 1051684 Specdb::CMs 1051686 Specdb::CMs 1051688 Specdb::CMs 1051690 Specdb::CMs 1051692 Specdb::CMs 1051694 Specdb::CMs 1051695 Specdb::CMs 1051697 Specdb::CMs 1051699 Specdb::CMs 1051701 Specdb::CMs 1051703 Specdb::MsMs 236 Specdb::MsMs 237 Specdb::MsMs 238 Specdb::MsMs 3118 Specdb::MsMs 262296 Specdb::MsMs 262297 Specdb::MsMs 262298 Specdb::MsMs 282228 Specdb::MsMs 282229 Specdb::MsMs 282230 Specdb::MsMs 439748 Specdb::MsMs 2244040 Specdb::MsMs 2246065 Specdb::MsMs 2248144 Specdb::MsMs 2248255 Specdb::MsMs 2250137 Specdb::MsMs 2250289 Specdb::MsMs 2252088 Specdb::MsMs 2442742 Specdb::MsMs 2442743 Specdb::MsMs 2442744 Specdb::MsMs 2519139 Specdb::MsMs 2519140 Specdb::MsMs 2519141 HMDB00153 27974 ESL #<Reference:0x000055ce2f295740> #<Reference:0x000055ce2f2953f8> #<Reference:0x000055ce2f295060> #<Reference:0x000055ce2f2947a0> #<Reference:0x000055ce2f294598> #<Reference:0x000055ce2f294368> #<Reference:0x000055ce2f294070> #<Reference:0x000055ce2f267930> #<Reference:0x000055ce2f2670c0> #<Reference:0x000055ce2f266ee0> #<Reference:0x000055ce2f266bc0> #<Reference:0x000055ce2f266990> #<Reference:0x000055ce2f2667d8> #<Reference:0x000055ce2f266580> #<Reference:0x000055ce2f266328> #<Reference:0x000055ce2f2660f8> #<Reference:0x000055ce2f265ea0> #<Reference:0x000055ce2f265bd0> #<Reference:0x000055ce2f265900> #<Reference:0x000055ce2f265590> 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 0.00003 0.00003121 0.00002843 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 Estrogen receptor P03372 ESR1 Estrogen receptor beta Q92731 ESR2 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 Anti estrogenic 272 A substance that diminishes the rate of a chemical reaction. Anti hot-flash 337 Anti-menopausal 429 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Estrogenic 922 Transdermal 1374