Estradiol
PubChem CID: 5757
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| Compound Synonyms | estradiol, beta-Estradiol, 17beta-Estradiol, 50-28-2, Oestradiol, Dihydrofolliculin, Estrace, Vivelle, progynon, Diogynets, Ovocyclin, Aquadiol, Climara, Diogyn, Vagifem, Dihydrotheelin, Dihydroxyestrin, Dimenformon, Divigel, Estraderm, Gynergon, Gynoestryl, Oestroglandol, Aerodiol, Corpagen, Estraldine, Estrogel, Estrovite, Femestral, Follicyclin, Ginosedol, Macrodiol, Oestergon, Ovahormon, Ovasterol, Ovastevol, Perlatanol, Primofol, Profoliol, Altrad, Bardiol, Evorel, Femogen, Lamdiol, Syndiol, Dihydromenformon, estradiol-17beta, cis-Estradiol, Estraderm TTS, Estroclim, Trocosone, Estring, Innofem, Menorest, Nordicol, Zumenon, Alora, Systen, 17beta-Oestradiol, D-Oestradiol, D-Estradiol, Progynon DH, Climaderm, Compudose, Dermestril, Estrasorb, Fempatch, Gynodiol, Ovocycline, Ovocylin, Encore, Esclim, Menest, Oesclim, Dihydroxyoestrin, SK-Estrogens, Progynon-DH, Elestrin, Gynestrel, Microdiol, Oestrogynal, Ovociclina, Tradelia, Estroclim 50, Evamist, Macrol, Zerella, Oestradiol R, Estring vaginal ring, Trial SAT, Theelin, dihydro-, Estradot, Menostar, Oestrogel, Compudose 200, Compudose 365, 17 beta-Estradiol, Profoliol B, VIVELLE-DOT, Estradiol-17-beta, Estradiolum, Estrogen, Gelestra, 3,17-Epidihydroxyestratriene, Zesteem, Dihydroxyesterin, cis-Oestradiol, Estraderm TTS 50, Estrogens, esterified, NSC-9895, 17.beta.-Estradiol, B-Estradiol, 17b-Oestradiol, Epiestriol 50, 17beta oestradiol, Estra-1,3,5(10)-triene-3,17beta-diol, (17beta)-Estra-1,3,5(10)-triene-3,17-diol, Estradiol Anhydrous, 17-beta-estradiol, Estradiol-17 beta, Amnestrogen, Elestrim, Femanest, Minivelle, 3,17-Epidihydroxyoestratriene, Sandrena 1, 17b-Estradiol, Estraderm (TN), [3H]-estradiol, 17, A-estradiol, 17, A-Oestradiol, Estrogel (TN), Climara (TN), Divigel (TN), Estrace (TN), Estring (TN), Innofem (TN), Vagifem (TN), Vivelle (TN), (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, 17.beta.-Oestradiol, CHEBI:16469, 3,17.beta.-Estradiol, .beta.-Estradiol, .beta.-Oestradiol, [3H]]estradiol, NSC-20293, Estradiol 17-beta, 17-beta-oestradiol, IMVEXXY, (17beta)-estra-1(10),2,4-triene-3,17-diol, Estradiol (Standard), Estradiol, .beta.-, Estradiol-17.beta., Estra-1,3,5(10)-triene-3,17-diol (17beta)-, Oestradiol-17.beta., 17-.beta.-oestradiol, 4TI98Z838E, Oestra-1,3,5(10)-triene-3,17beta-diol, Estrasorb (TN), 17.beta.-OH-estradiol, 17.beta.-OH-oestradiol, 17beta estradiol (E2), Extrasorb, 17beta-Estra-1,3,5(10)-triene-3,17-diol, Estreva, Estrifam, Femtran, Ginedisc, WC3011, C18H24O2, CHEMBL135, GynPolar, Sandrena Gel, D-3,17.beta.-Estradiol, WC-3011, D-3,17.beta.-Oestradiol, Sisare Gel, Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, Estrofem 2, MLS000069494, 3,17b-Dihydroxyestra-1,3,5(10)-triene, (+)-3,17.beta.-Estradiol, 141290-02-0, Oestradiolum, DTXSID0020573, Estradiol valerate metabolite e2, BIJUVA COMPONENT ESTRADIOL, NSC9895, ANGELIQ COMPONENT ESTRADIOL, Climara Forte, ORIAHNN COMPONENT ESTRADIOL, PREFEST COMPONENT ESTRADIOL, Oestradiol Berco, Estraderm MX, ACTIVELLA COMPONENT ESTRADIOL, 1,3,5-Estratriene-3,17beta-diol, COMBIPATCH COMPONENT ESTRADIOL, [3H]E2, CLIMARA PRO COMPONENT ESTRADIOL, Oestradiol-17beta, Estrapak 50, E2, Estradiolum [INN], Estradiolo [DCIT], NCGC00091544-04, Oestradiol-17-beta, Estrodiolum, Estradiolo, Femestrol, SMR000059126, Estradiol-3,17beta, 17-beta-OH-estradiol, 3,17-beta-Estradiol, 3,17beta-Dihydroxy-1,3,5(10)-estratriene, 3,17beta-Dihydroxyestra-1,3,5(10)-triene, 3,17-beta-Oestradiol, D-3,17beta-Estradiol, ESTRADIOL (USP-RS), ESTRADIOL [USP-RS], 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene, E(sub 2), Methyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate., Benzogynestry, Estropause, Estasorb, (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, (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, [2,4,6,7-3H]-E2, E 2, DTXCID80573, ESTRADIOL (USP MONOGRAPH), ESTRADIOL [USP MONOGRAPH], Destradiol, ESTRADIOL IMPURITY A (IP), ESTRADIOL IMPURITY A [IP], Yuvvexy, Zesteen, 17-beta-OH-oestradiol, D-3,17beta-Oestradiol, D-3,17-beta-Estradiol, Estrodiolum [INN-Latin], MFCD00003693, Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, D-3,17-beta-Oestradiol, Activella (Salt/Mix), Combipatch (Salt/Mix), (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol, CCRIS 280, component of Menrium, Estradiol-17 alpha, Climara Pro (Salt/Mix), 3,17beta-Estradiol, 3,17-.beta.-Oestradiol, Estraderm TTS 100, HSDB 3589, 3,3,5(10)-triene, SR-01000075866, 17-.BETA.-Estradiol, EINECS 200-023-8, 1,3,5-Estratriene-3,17-beta-diol, oestrodiol, Estradiol [USP:INN:BAN], 3,17beta-Dihydroxyestra-1,3,5-triene, 3,17beta-Dihydroxyoestra-1,3,5-triene, Yuvafem, delta-Estradiol, dihydro-Theelin, dl-estradiol, 3,17-beta-Dihydroxyoestra-1,3,5-triene, NSC20293, UNII-4TI98Z838E, beta -estradiol, delta-Oestradiol, Estradiol pellet, Estradiol,, TX-004HR, Vivelle Dot, Estra-1,3,5(10)-triene-3,17-beta-diol, Estradiol Vaginal, Estrogel HBF, Oestra-1,3,5(10)-triene-3,17-beta-diol, 1jgl, 1lhu, 1qkt, 1qku, 3,17-beta-Dihydroxyestra-1,3,5(10)-triene, [3H]estradiol, 1,3,5-Estratriene-3,17.beta.-diol, 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene, CAS-50-28-2, 17-beta-Estra-1,3,5(10)-triene-3,17-diol, 17beta-Oestra-1,3,5(10)-triene-3,17-diol, .alpha.-Oestradiol, 17-beta-Oestra-1,3,5(10)-triene-3,17-diol, Estra-1,3,5(10)-triene-3,17-diol, Estradiol1557, Prestwick_207, 3,17b-Estradiol, Bio-E-Gel, Fem7, [3H]-Estrogen, 3,17.beta.-Dihydroxyestra-1,3,5-triene, 3,17.beta.-Dihydroxyoestra-1,3,5-triene, CMC_11154, Therapeutic Estradiol, DOTTI, LYLLANA, Estra-25, Estra-50, 1,3,5,(10)-Estratrien-3,17.beta.-diol, SL-1100, Beta-estradiol (E2), Estra-1,3,5(10)-triene-3,17.beta.-diol, Oestra-1,3,5(10)-triene-3,17.beta.-diol, Estradiol Gel 0.1%, Estradiol Vaginal Cream, 2j7x, 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene, 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene, 3,3,5-triene, [3H]17beta-estradiol, ESTROGEN PHENOLIC, ESTRADIOL [INN], ESTRADIOL [JAN], 17.beta.-Estra-1,3,5(10)-triene-3,17-diol, ESTRADIOL [MI], rec IFN-gamma (human), ESTRADIOL [HSDB], 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol, Opera_ID_1688, Prestwick0_000441, Prestwick1_000441, Prestwick2_000441, Prestwick3_000441, Spectrum5_002055, 17beta-estradiol (E2), ESTRADIOL [VANDF], alpha-estradiol (obsolete), beta-Estradiol, >=98%, bmse000642, Epitope ID:136018, (+)-3,17b-Estradiol, E 8875, EC 200-023-8, ESTRADIOL [WHO-DD], SCHEMBL8049, Estradiol Transdermal System, (+)-3,17beta-Estradiol, Estradiol (JAN/USP/INN), Tritiated estradiol-17-beta, BIDD:PXR0065, Lopac0_000503, S-21400, BSPBio_000482, BSPBio_001065, KBioGR_000405, KBioGR_002269, KBioSS_000405, KBioSS_002270, MLS000758312, MLS001076331, MLS001424022, BIDD:ER0125, SPBio_002421, ESTRADIOL [GREEN BOOK], BPBio1_000532, GTPL1012, GTPL1013, ESTRADIOL [ORANGE BOOK], ESTRADIOL VAGINAL INSERTS, NIOSH/KG7030000, BDBM17292, HY-B0141R, KBio2_000405, KBio2_002269, KBio2_002973, KBio2_004837, KBio2_005541, KBio2_007405, KBio3_000769, KBio3_000770, KBio3_002749, 1a52, 1g50, 2d06, cMAP_000005, Bio1_000403, Bio1_000892, Bio1_001381, Bio2_000363, Bio2_000843, CS336, HMS1362E07, HMS1569I04, HMS1792E07, HMS1990E07, HMS2051C17, HMS2090E18, HMS2096I04, HMS2236H04, HMS3261F07, HMS3403E07, HMS3713I04, HMS3884A08, beta-Estradiol, analytical standard, (8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, 17916-67-5, BCP08579, ESTRADIOL 17-BETA [VANDF], HY-B0141, ESTRADIOL COMPONENT OF BIJUVA, Tox21_111148, Tox21_202057, Tox21_300288, Tox21_500503, 1,5-Estratriene-3,17.beta.-diol, HB2494, LMST02010001, s1709, ESTRADIOL COMPONENT OF ANGELIQ, ESTRADIOL COMPONENT OF ORIAHNN, ESTRADIOL COMPONENT OF PREFEST, Estradiol-17-beta-6,7-(sup 3)H, [2,4,6,7-3H]-17beta-estradiol, AKOS015896570, CCG-100808, CS-1938, DB00783, ESTRADIOL COMPONENT OF ACTIVELLA, FE10880, LP00503, NC00058, SDCCGSBI-0050487.P002, ESTRADIOL COMPONENT OF COMBIPATCH, IDI1_002118, SMP1_000121, NCGC00091544-00, NCGC00091544-01, NCGC00091544-02, NCGC00091544-05, NCGC00091544-06, NCGC00091544-07, NCGC00091544-09, NCGC00091544-10, NCGC00091544-11, NCGC00091544-12, NCGC00091544-13, NCGC00091544-14, NCGC00091544-15, NCGC00091544-16, NCGC00091544-18, NCGC00091544-27, NCGC00179321-01, NCGC00179321-02, NCGC00254177-01, NCGC00259606-01, NCGC00261188-01, 17-E, AC-22346, AS-13729, CPD000059126, ESTRADIOL COMPONENT OF CLIMARA PRO, FR108523, Estra-1,3,5(10)-triene-3,17b-diol, Oestra-1,3,5(10)-triene-3,17b-diol, US9034854, E2, US9040509, E2, US9422324, E2, US9561238, E2, WLN: L E5 B666TTT&J E1 FQ OQ, 17 beta-Estradiol, 1mg/ml in Acetonitrile, DB-246618, Estra-1,5(10)-triene-3,17.beta.-diol, Estradiol, meets USP testing specifications, 3,17beta-dihydroxyestra-1,3,5(10)-trien, CS-0694760, Estra-1,3,5(10)-triene-3,17beta-diol-, EU-0100503, KG70300000, NS00008517, NS00115904, Oestra-1,5(10)-triene-3,17.beta.-diol, C00951, D00105, EN300-119518, (17b)-Estra-1,3,5(10)-triene-3,17-diol, 1,3,5-Estratriene-3,17b-diol, Dihydrofolliculin, 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol, 17.beta.-Estra-1,5(10)-triene-3,17-diol, 17.beta.-Oestra-1,5(10)-triene-3,17-diol, ETHINYLESTRADIOL IMPURITY D [EP IMPURITY], 17-beta-Estradiol 100 microg/mL in Acetonitrile, Q422416, SR-01000721892, 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol, Estra-1,5(10)-triene-3,17-diol (17.beta.)-, ESTRADIOL BENZOATE IMPURITY A [EP IMPURITY], ESTRADIOL VALERATE IMPURITY A [EP IMPURITY], SR-01000075866-1, SR-01000075866-4, SR-01000721892-3, BRD-K18910433-001-04-4, BRD-K18910433-001-36-6, BRD-K18910433-001-43-2, estra-1(10),2,4-triene-3,17-diol, (17beta)-, Estra-1,5(10)-triene-3,17-diol, (17.beta.)-, Z1521553843, B8B5AEF5-4957-49EB-A14F-444A8212C482, beta-Estradiol, BioReagent, powder, suitable for cell culture, Estradiol, United States Pharmacopeia (USP) Reference Standard, 13.BETA.-METHYL-1,3,5(10)-GONATRIENE-3,17.BETA.-OL, beta-Estradiol, powder, gamma-irradiated, suitable for cell culture, Estra-1,3,5(10)-triene-3,17-diol, (6,7-(sup 3)H,17-beta)-, (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol, Estradiol, Pharmaceutical Secondary Standard, Certified Reference Material, (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol, 200-023-8, 82115-62-6 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Pathway Kegg Map Id | map00150 |
| Description | 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Enzyme Uniprot Id | Q9BY64, Q92731, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P04278, O75469, P03372, Q6UWM9, A0N0X8, Q6NWU0 |
| Uniprot Id | P37059, Q9BY64, Q92731, Q92506, Q9Y6L6, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, Q8NBQ5, P14061, P56937, P08684, P11712, P33261, P05181, Q9HB55, Q16678, P33260, P24903, Q8N118, P20813, P20815, P04798, Q16696, P24462, P13584, Q86W10, P05177, P11511, P10632, Q96SQ9, P51589, P20853, P11509, P04278, O94956, O75469, P03372, P08183, Q9UNQ0, Q9NSA0, O15245, P46721, O14756, O15244, O75751, Q6UWM9, A0N0X8, Q53GQ0, Q5DT02, Q5DSZ6, Q5DSZ7, Q6NWU0, P08185, P49884, P02768, Q62986, P02773, Q9TU15, Q9GK37, Q9NY46, P06536, P06401, P15207, P22199, P08842, O08537, P19785, P63319, P06211, P11474, O95718, P62508, P10275, n.a., Q8TDU6, Q92887, Q63449, Q99527, P02545, Q99714, P46063, Q16637, P16473, P10636, P00352, Q01453, Q194T2, P54132, Q06278, Q9Z0U5, P80456, Q5FB27, Q06124, Q96KQ7, Q96RI1, P10828, P37231, Q03181, P84022, P08659, P04150, Q01959, P12530, Q690N0, P31645, P49885, P46720, Q5T3U5, O88446, Q9R0W2, O75496, Q9R1A7, P10145, P51449, Q9NPD5, Q9NUW8, Q13148, O75874, O95398, P15289, P27695, Q13936, P49888, P50225, Q9BPX1, O95342, O15438, O15439, O08756, Q6TMG5, Q9Y6A2, P0DTD1, P37840 |
| 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 |
| Prediction Hob | 0.0 |
| Class | Steroids and steroid derivatives |
| Target Id | NPT108, NPT248, NPT1731, NPT894, NPT153, NPT895, NPT2736, NPT2737, NPT745, NPT3037, NPT483, NPT149, NPT47, NPT93, NPT210, NPT51, NPT94, NPT796, NPT58, NPT109, NPT2742, NPT246, NPT249, NPT295, NPT1546, NPT613, NPT2691, NPT627, NPT1604, NPT920 |
| Xlogp | 4.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Estrane steroids |
| Molecular Formula | C18H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.429 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 3.775 |
| Synonyms | (+)-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, Estraderm, Estrasorb, Estring, Innofem, Vagifem, (17Β)-estra-1,3,5(10)-triene-3,17-diol, 17Β oestradiol, 17Β-estra-1,3,5(10)-triene-3,17-diol, 17Β-oestradiol, Β-estradiol, Dihydro-theelin, Estraderm TTS, Estrogel HBF, Progynon DH, Estradiol hemihydrate, (17 alpha)-isomer, Estradiol, (-)-isomer, Estradiol, monosodium salt, Estradiol-17 beta, 17 beta Oestradiol, 17 beta-Estradiol, Estradiol 17 beta, Estradiol monohydrate, Estradiol orion brand, Estradiol, (17-alpha)-isomer, Estradiol, sodium salt, 17 beta Estradiol, Estradiol hemihydrate, Estradiol, (+-)-isomer, Estradiol, (16 alpha,17 alpha)-isomer, Estradiol-17 alpha, Orion brand OF estradiol, 17 beta-Oestradiol, Estradiol 17 alpha, Estradiol 17beta, Estradiol anhydrous, Estradiol, (16 alpha,17 beta)-isomer, Estradiol, (8 alpha,17 beta)-(+-)-isomer, Estradiol, (8 alpha,17 beta)-isomer, Estradiol, (9 beta,17 alpha)-isomer, Estradiol, (9 beta,17 beta)-isomer, Novartis pharmaceuticals brand OF estradiol, Progynova, Estradiol valeriante, Estradiol valerate, Delestrogen, Progynon depot, Progynon-depot, Estradiol |
| Substituent Name | Estrogen-skeleton, 17-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, Phenanthrene, Tetralin, Benzenoid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aromatic homopolycyclic compound |
| Compound Name | Estradiol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -4.2771056 |
| 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 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Estrogens and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Drynaria Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Harpagophytum Procumbens (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Onobrychis Ebenoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all