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Name | ethinyl estradiol |
---|---|
Molecular formula | C20H24O2 |
IUPAC name | (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
Molecular weight | 296.41 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | 17alpha-Ethinylestradiol-17beta SBB066068 17 alpha-Ethynylestradiol 17alpha-Ethynyloestradiol Spanestrin 17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol [ Show all ]19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17.beta.-diol to_000048 17-Ethinyl-3,17-estradiol 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene Z1541638513 17-Ethynylestradiol ram 392-EP2275422A1 17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene 423D2T571U 17.alpha.-ethinyloestra-1,5(10)-triene-3,17.beta.-diol Aethinyloestradiolum 17.alpha.-Ethynylestradiol NSC10973 AN-14224 17a-Ethinylestradiol Ortho-Cyclen 17alpha-Ethinyl-1,3,5(10)-estratriene-3,17-diol Primogyn C (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2(7),3,5-triene-5,14-diol DSSTox_RID_75668 FT-0625736 EN300-119516 HSDB 3587 Eston-E Linoral Estorals Microfollin Forte Estradiol, Ethinyl NCGC00091533-05 Ethinyl Estradiol [USP] Ethinylestradiol (JP15/INN) CCG-100819 Ethinylestradiolum [INN-Latin] component of Demulen Ethynylestradiol, Ethinyl Estradiol Desogen (Salt/Mix) Etinilestradiol [INN-Spanish] 17alpha-Ethynylestra-1,3,5(10)-triene-3,17beta-diol Seasonale (Salt/Mix) 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene 19-Nor-1,3,5(10),17alpha-pregnatrien-20-yne-3,17-diol ST081364 17-alpha-Ethynyl-17-beta-oestradiol 19-Nor-17.alpha.-pregna-1,5[10]-trien-20-yne-3,17-diol Triphasil (Salt/Mix) 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene 17-Ethynyloestradiol 392-EP2308866A1 17.alpha.-ethinyl-3,3,5)oestratriene AB00441335-11 17.alpha.-Ethynyl-1,5-estratriene-3,17.beta.-diol Neo-Estrone AI3-52941 17.alpha.-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol Oradiol BDBM50187243 17a-Ethynylestradiol OVULEN-21 (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol 17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene Progynon M (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Etinoestryl EE Halodrin Ertonyl Jenapharm Brand of Ethinyl Estradiol Estoral Lynoral Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl- MLS001424011 Ethinoral NCGC00091533-09 Ethinyl estradiol, United States Pharmacopeia (USP) Reference Standard Ethinylestradiol Jenapharm CHEBI:4903 Ethinyloestradiol [Steroidal oestrogens] CS-2161 Eticyclol Diogyn E 17 alpha-ethinyestradiol 17alpha-Ethynylestradiol, >=98.0% (HPLC) SGCUT00127 17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yn-3,17-diol Tox21_201291 17-alpha-Ethynylestradiol-l7-beta 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)- Ylestol 17-Ethynylestra-1,3,5(10)-triene-3,17beta-diol 392-EP2270017A1 17.alpha.-Ethinyl-1,3,5(10)-estratriene-3,17-diol 3WF 17.alpha.-Ethinylestradiol AC-2169 17.alpha.-Ethynylestra-1,3,5(10)-triene-3,17.beta.-diol Novestrol Amenoron 17.beta.-Estradiol, 17-ethynyl- Organon Brand of Ethinyl Estradiol 17a-Ethynyloestradiol-17b Perovex (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol Q-201076 DSSTox_CID_576 Feminone Effik Brand of Ethinyl Estradiol HMS2235J09 Estinyl KS-5257 Estoral [Orion] MFCD00003690 Estra-1,5[10]-triene-3,17.beta.-diol, 17-ethynyl- NCGC00091533-01 Ethinyl estradiol (USP) NCGC00258843-01 Ethinyl-oestranol C07534 Ethinylestradiol, European Pharmacopoeia (EP) Reference Standard ethynyl-estradiol D06NXY Etinestryl 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol SCHEMBL4071 17 alpha-Ethynyloestradiol 17alpha-Ethynyloestradiol-17beta SR-01000721903 17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol 19-nor-17.alpha.-Pregna-1,5(10)-trien-2-yne-3,17-diol TRANSGENIC MODEL EVALUATION (ETHINYL ESTRADIOL) 17-Ethinyl-3,17-oestradiol 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-oestratriene ZINC3812897 17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol 392-EP2277622A1 17.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene 57-63-6 17.alpha.-Ethynyl-1,3,5(10)-estratriene-3,17.beta.-diol Aethinyoestradiol 17.alpha.-Ethynylestradiol-l7.beta. Opera_ID_1808 Anovlar 17a-Ethinylestradiol 100 microg/mL in Acetonitrile Ortho-Cyclen (Salt/Mix) 17alpha-Ethinyl-17beta-estradiol Primogyn M (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-triene-5,14-diol Etinilestradiolo DTXSID5020576 Ginestrene ENDOCRINE DISRUPTOR (ETHINYL ESTRADIOL) (SEE ALSO ETHINYL ESTRADIOL (57-63-6)) HY-B0216 Estopherol LMST02010036 Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl- MLS000028479 Estradiol, Ethynyl NCGC00091533-07 Ethinyl Estradiol, (8 alpha)-Isomer Ethinylestradiol (JP17/INN) CCRIS 286 Ethinylestriol component of Oracon Ethynyloestradiol Dicromil 003E690 17alpha-Ethynylestradiol Seasonique (Salt/Mix) 17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol Tox21_111147 17-alpha-Ethynylestradiol 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol UNII-423D2T571U 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene 17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta. -diol 392-EP2372017A1 17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-diol AB00441335_12 17.alpha.-Ethynyl-1,5-oestratriene-3,17.beta.-diol Nogest-S AJ-45681 17.alpha.-Ethynyloestradiol Orestralyn BFPYWIDHMRZLRN-SLHNCBLASA-N 17a-Ethynylestradiol-l7b OVULEN-28 (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol 17alpha-ethinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol Prosexol Etistradiol EE(sub 2) Hemihydrate, Ethinyl Estradiol Esteed Jenapharm, Ethinylestradiol Estoral (Orion) MCULE-5991854877 Estra-1,5(10)-triene-3,17.beta.-diol, 17-ethynyl- MolPort-001-794-636 Ethinyl E2 NCGC00091533-10 Ethinyl Oestradiol Effik BRD-K48195008-001-19-9 Ethinylestradiol [INN:BAN:JAN] Chee-O-Gen Ethy 11 Cyclosa Eticylol Diogyn-E 17 alpha-Ethinylestradiol 17alpha-Ethynylestradiol, VETRANAL(TM), analytical standard SMR000058319 17-alpha-ethynyl estradiol 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol Tox21_300413 17-alpha-Ethynyloestradiol-17-beta 19-Norpregna-1,5(10)-trien-20-yne-3,17-diol, (17.alpha.)- Ylestrol 17-Ethynylestradiol 392-EP2272846A1 17.alpha.-Ethinyl-17.beta.-estradiol 406932-93-2 17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol AC1L1LK6 17.alpha.-Ethynylestra-1,5(10)-triene-3,17.beta.-diol NSC-10973 Amenorone 17a-Ethinyl-17b-estradiol Ortho Evra (Salt/Mix) 17alpha-Ethinyl estradiol Primogyn (1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol 17alpha-Ethinylestradiol s1625 DSSTox_GSID_20576 Follicoral EINECS 200-342-2 HMS3715J09 Estinyl (TN) Levlen (Salt/Mix) Estoral {[Orion]} Microfollin Estradiol, 17-ethynyl- NCGC00091533-04 Ethinyl Estradiol Hemihydrate ETHINYLESTRADIOL CAS-57-63-6 Ethinylestradiolum CHEMBL691 Ethynylestradiol DB00977 Etinilestradiol 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol Schering Brand of Ethinyl Estradiol 17-alpha-Ethinyl-17-beta-estradiol 17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl- SR-01000721903-3 17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol 19-Nor-17.alpha.-pregna-1,5(10)-trien-20-yne-3,17-diol Tri-Levlen (Salt/Mix) 17-Ethinylestradiol 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene 17-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol 392-EP2281816A1 17.alpha.-Ethinyl-3,3,5)-estratriene 77538-56-8 17.alpha.-Ethynyl-1,3,5(10)-oestratriene-3,17.beta.-diol NCI60_000234 Aethinyoestradiol [German] 17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol Oracon (Salt/Mix) Anovlar (Salt/Mix) 17a-Ethynyl-17b-oestradiol Ortrel (Salt/Mix) 17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene Progynon C (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Etinilestradiolo [DCIT] Dyloform GTPL7071 EO Inestra Estopherol (Salt/Mix) LS-231 Estra-1,3,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl- MLS000758274 Ethidol NCGC00091533-08 Ethinyl Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material Ethinylestradiol for system suitability, European Pharmacopoeia (EP) Reference Standard Certostat Ethinyloestradiol component of Ortrel Eticyclin Diognat-E 1050678-65-3 17alpha-Ethynylestradiol, >=98% Secrovin (Salt/Mix) 17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol 19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol Tox21_111147_1 17-alpha-Ethynylestradiol-17-beta 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)- WLN: L E5 B666TTT&J E1 FQ F1UU1 OQ 17-Ethynyl-3-17-dihydroxy-1,5-oestratriene 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene 17.alpha.-ethinyl-.delta.(sup1,5(10))oestratriene-3,17-.beta.-diol 392-EP2374791A1 17.alpha.-ethinylestra-1,5(10)-triene-3,17.beta.-diol AB2000171 17.alpha.-Ethynyl-17.beta.-oestradiol Nordette (Salt/Mix) AKOS015894925 17.alpha.-Ethynyloestradiol-17.beta. Orestrayln BIDD:ER0162 17a-Ethynyloestradiol Palonyl (17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol 17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol PUBERTAL ETHINYL ESTRADIOL STUDY Diprol Etivex EE2 HMS2051I19 Estigyn Kolpolyn Estoral (VAN) Menolyn Estra-1,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl- NC00069 NCGC00254514-01 Ethinyl-Oestradiol Effik BRN 2419975 Ethinylestradiol, 98% Chee-O-Genf Ethynyl estradiol D00554 Etinestrol |
Inchi Key | BFPYWIDHMRZLRN-SLHNCBLASA-N |
Inchi ID | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
PubChem CID | 5991 |
ChEMBL | CHEMBL691 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
22525 | 5-hydroxytryptamine receptor 4 | O70528 | HTR4 | Cavia porcellus (Guinea pig) | 388 |
22523 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
442538 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
22526 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
22524 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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