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Name | estradiol |
---|---|
Molecular formula | C18H24O2 |
IUPAC name | (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
Molecular weight | 272.388 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | delta-Oestradiol Angeliq (TN) 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol Estradiolum [INN] Dihydroxyesterin BCP08579 [ Show all ]17beta estradiol (E2) Estrifam Divigel (TN) beta-Estradiol, powder, gamma-irradiated, suitable for cell culture 17|A-estradiol;oestradiol;17|A-Oestradiol;|A-Estradiol Estrofem (TN) E0025 Bio2_000363 SMP1_000121 2d06 Epitope ID:136018 SR-01000721892-3 BSPBio_001065 3,17-dihydroxy-delta(1,3,5-10)-estratriene (17beta)-Estra-1,3,5(10)-triene-3,17-diol Estra-1,3,5(10)-triene-3,17-diol (17beta)-, homopolymer Tox21_500503 CHEMBL135 3,17.beta.-Estradiol .alpha.-Oestradiol Estra-1,5(10)-triene-3,17.beta.-diol Vagifem (TN) Climara, Menostar 3,17beta-Estradiol 1,3,5-Estratriene-3,17beta-diol Estraderm TTS 100 Z-4415 Corpagen AB2000237 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol Estradiol valerate (TN) [2,4,6,7-3H]-E2 D-3,17beta-Oestradiol AKOS015896570 17-beta-Oestra-1,3,5(10)-triene-3,17-diol Estradiol-17 beta KBio3_000769 Prestwick1_000441 LMST02010001 Progynon DH Menostar (TN) SC-25771 MolPort-001-794-632 Estrovite NCGC00091544-07 Femestral NCGC00091544-16 Ginosedol NSC9895 HMS1362E07 Oestradiol HMS3261F07 Oestradiolum Innofem (TN) Ovastevol 17-decahydrocyclopenta[a]phenanthrene-3,17-diol estradiol-17beta dihydro-Theelin AS-13729 17.beta.-OH-estradiol Estrapak 50 Dimenformon beta-Estradiol 17beta-Estradiol Estring vaginal ring DSSTox_RID_75666 BIDD:PXR0065 1g50 Estrogel Elestrim BPBio1_000532 Spectrum5_002055 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene (+)-3,17beta-Estradiol estra-1(10),2,4-triene-3,17-diol, (17beta)- Systen CAS-50-28-2 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene (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 Estra-1,3,5(10)-triene-3,17.beta.-diol Trocosone Climaderm 3,17beta-Dihydroxy-1,3,5(10)-estratriene 003E693 Estraderm VIVELLE-DOT Combipatch (Salt/Mix) 4TI98Z838E Estradiol (JAN/USP/INN) Zesteem D-3,17-beta-Estradiol ACN-S003579 17-.BETA.-Estradiol Estradiol, .beta.- [3H]17beta-estradiol D00105 alpha-estradiol (obsolete) Ovocycline KBioGR_000405 Prestwick_207 LS-137 Q-201503 Minivelle NCGC00091544-01 EvaMist (TN) NCGC00091544-11 Fempatch NCGC00254177-01 Gynergon Oestra-1,3,5(10)-triene-3,17-beta-diol HMS1990E07 Oestradiol-17-beta HSDB 3589 Oestroglandol KBio2_002269 17.beta.-Estra-1,5(10)-triene-3,17-diol Estradiolo [DCIT] Dihydromenformon Bardiol 17b-Estradiol Estrasorb Topical (TN) Diogynets beta-Estradiol, analytical standard 17beta-Oestra-1,3,5(10)-triene-3,17-diol Estrodiolum E 8875 Bio1_000892 SK-Estrogens 1qkt Estrogens, esterified Encore SR-01000075866-4 BRD-K18910433-001-43-2 3,17-beta-Estradiol (17b)-Estra-1,3,5(10)-triene-3,17-diol Estra-1,3,5(10)-triene-3,17-diol (17.beta.)- Tox21_202057 CHEBI:16469 3,17.beta.-Dihydroxyestra-1,3,5-triene (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Estra-1,5(10)-triene-3,17-diol (17.beta.)- UNII-4TI98Z838E Climara Forte 3,17beta-Dihydroxyestra-1,3,5-triene 1,3,5-Estratriene-3,17-beta-diol Estraderm TTS WLN: L E5 B666TTT&J E1 FQ OQ Compudose 200 873662-39-6 125DP6010H Estradiol cypionate (TN) Zumenon D-3,17.beta.-Oestradiol Aerodiol 17-beta-estradiol Estradiol, United States Pharmacopeia (USP) Reference Standard [3H]]estradiol DB00783 Amnestrogen Polyestradiol KBioSS_002270 Profoliol B Menest Sandrena 1 MLS001076331 NCGC00091544-05 Fem7 NCGC00091544-14 Gelestra Nordicol Gynoestryl Oestra-1,3,5(10)-triene-3,17beta-diol HMS2096I04 Oestradiol-17beta and esters IDI1_002118 Ovahormon KBio2_005541 Dermestril AOB5963 17.beta.-Oestra-1,5(10)-triene-3,17-diol Estradot Dihydroxyestrin BDBM17292 17beta oestradiol Estring DSSTox_CID_573 beta-Oestradiol 17|A-Oestradiol Estrofem 2 EC 200-023-8 Bio2_000843 SMR000059126 2j7x (+)-3,17.beta.-Estradiol Esclim SY017569 C00951 3,17-Epidihydroxyestratriene (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2,4,6-triene-5,14-diol Estra-1,3,5(10)-triene-3,17-diol(17b)- Tradelia cis-Estradiol 3,17b-Dihydroxyestra-1,3,5(10)-triene .beta.-Estradiol Estrace Vivelle cMAP_000005 3,3,5(10)-triene 1,5-Estratriene-3,17.beta.-diol Estraderm TTS 50 Z1847670481 CPD000059126 AC-22346 17 ?-Estradiol Estradiol [USAN:INN] [3H]-estradiol D-Estradiol Alora 17-beta-OH-estradiol Estradiol-17-beta KBio3_000770 Prestwick2_000441 Lopac0_000503 Progynon-DH MFCD00003693 SCHEMBL8049 NC00058 EU-0100503 NCGC00091544-09 Femestrol NCGC00179321-01 GTPL1012 Oesclim HMS1569I04 Oestradiol Berco HMS3403E07 oestrodiol J10189 Ovociclina 17-E Estradiol-3,17beta Dihydrofollicular hormone B-Estradiol 17.beta.-OH-oestradiol Estrasorb Dimenformon prolongatum beta-Estradiol, 98% 17beta-estradiol (E2) Estroclim DTXSID0020573 Bio-E-Gel 1jgl Estrogel (TN) Elestrin SR-01000075866 3,17-beta-Dihydroxyestra-1,3,5(10)-triene (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol Estra-1,3,5(10)-triene -3,17beta-diol Theelin, dihydro- CCG-100808 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene (8''R'',9''S'',13''S'',14''S'',17''S'')-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[''a'']phenanthrene-3,17-diol Estra-1,3,5(10)-triene-3,17b-diol TX-004HR Climara 3,17beta-dihydroxyestra-1,3,5(10)-trien 1,3,5(10)-estratriene-3,17b-diol Estraderm (TN) Vivelle-Dot (TN) component of Menrium 50-28-2 1050677-52-5 Estradiol acetate (TN) Zesteen D-3,17-beta-Oestradiol Activella (Salt/Mix) 17-beta Estradiol, meets USP testing specifications [3H]E2 D08QMX alpha-Oestradiol Ovocylin KBioGR_002269 Primofol Macrodiol S-21400 MLS000069494 NCGC00091544-02 Evorel NCGC00091544-12 Femtran NCGC00259606-01 Gynestrel Oestra-1,3,5(10)-triene-3,17.beta.-diol HMS2051C17 Oestradiol-17.beta. HY-B0141 Oestrogynal KBio2_002973 delta-Estradiol AN-6628 17.beta.-Estradiol Estradiolum Dihydrotheelin BC200811 17b-Oestradiol Estreva Divigel beta-Estradiol, BioReagent, powder, suitable for cell culture 17beta-Oestradiol Estrodiolum [INN-Latin] E(sub 2) Bio1_001381 SL-1100 1qku Estropause Epiestriol 50 SR-01000721892 BSPBio_000482 3,17-beta-Oestradiol (17beta)-estra-1(10),2,4-triene-3,17-diol Estra-1,3,5(10)-triene-3,17-diol (17beta)- Tox21_300288 3,17.beta.-Dihydroxyoestra-1,3,5-triene (8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Estra-1,5(10)-triene-3,17-diol, (17.beta.)- Vagifem Climara Pro (Salt/Mix) 3,17beta-Dihydroxyoestra-1,3,5-triene 1,3,5-Estratriene-3,17.beta.-diol Estraderm TTS (TN) Yuvvexy Compudose 365 AB0012866 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol ESTRADIOL HEMIHYDRATE [2,4,6,7-3H]-17beta-estradiol D-3,17beta-Estradiol AJ-64042 17-beta-Estradiol 100 microg/mL in Acetonitrile Estradiol-17 alpha KBio2_007405 Prestwick0_000441 Lamdiol progynon Menorest Sandrena Gel MLS001424022 NCGC00091544-06 Femanest NCGC00091544-15 Ginedisc NSC-9895 GynPolar Oestra-1,5(10)-triene-3,17.beta.-diol HMS2236H04 Oestradiol-17beta and esters [Steroidal oestrogens] Innofem Ovasterol Destradiol Aquadiol 17.beta.-Oestradiol Estraldine Dihydroxyoestrin Benzogynestry 17beta-Estra-1,3,5(10)-triene-3,17-diol Estring (TN) DSSTox_GSID_20573 BIDD:ER0125 1a52 Estrofem Forte EINECS 200-023-8 bmse000642 SPBio_002421 3,17-.beta.-Oestradiol (+)-3,17b-Estradiol Estasorb Syndiol C18H24O2 3,17-Epidihydroxyoestratriene (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-2,4,6-triene-5,14-diol Estra-1,3,5(10)-triene-3,17-diol, (17beta)- Trial SAT cis-Oestradiol 3,17b-Estradiol .beta.-Oestradiol Estrace (TN) Vivelle (TN) CMC_11154 3,3,5-triene Zerella CS-1938 AC1L1L2K 17 beta-Estradiol Estradiol [USP:INN:BAN] [3H]-Estrogen D-Oestradiol Alora (TN) 17-beta-OH-oestradiol Estradiol-17.beta. KBio3_002749 Prestwick3_000441 LP00503 Progynova (TN) Microdiol Sisare Gel NCGC00091544-00 Evamist NCGC00091544-10 Femogen NCGC00179321-02 GTPL1013 Oestergon HMS1792E07 Oestradiol R HMS3713I04 Oestrogel KBio2_000405 Ovocyclin 17.beta.-Estra-1,3,5(10)-triene-3,17-diol Estradiolo Dihydrofolliculin B8B5AEF5-4957-49EB-A14F-444A8212C482 Estrasorb (TN) Diogyn beta-Estradiol, >=98% 17beta-Estradiol solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material Estroclim 50 E 2 Bio1_000403 1lhu Estrogel HBF Elestrin (TN) SR-01000075866-1 BRD-K18910433-001-04-4 3,17-beta-Dihydroxyoestra-1,3,5-triene (17?)-Estra-1,3,5(10)-triene-3,17-diol Estra-1,3,5(10)-triene-3,17-beta-diol Tox21_111148 CCRIS 280 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Estra-1,3,5(10)-triene-3,17beta-diol UNII-125DP6010H Climara (TN) 3,17beta-Dihydroxyestra-1,3,5(10)-triene 1,3,5,(10)-Estratrien-3,17.beta.-diol Estraderm MX VOXZDWNPVJITMN-ZBRFXRBCSA-N Compudose 73459-61-7 1206475-11-7 Estradiol complex ZINC13520815 D-3,17.beta.-Estradiol Activella (TN) 17-beta-Estra-1,3,5(10)-triene-3,17-diol Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material [3H]estradiol Altrad Perlatanol KBioSS_000405 Profoliol Macrol s1709 MLS000758312 NCGC00091544-04 Extrasorb NCGC00091544-13 Follicyclin NCGC00261188-01 Gynodiol Oestra-1,3,5(10)-triene-3,17b-diol HMS2090E18 Oestradiol-17beta I06-2405 Opera_ID_1688 KBio2_004837 |
Inchi Key | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
Inchi ID | 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 |
PubChem CID | 5757 |
ChEMBL | CHEMBL135 |
IUPHAR | 1013, 1012 |
BindingDB | 17292 |
DrugBank | DB00783 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
360593 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
360592 | G-protein coupled estrogen receptor 1 | Q99527 | GPER1 | Homo sapiens (Human) | 375 |
360591 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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