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