| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 21 | No |
Popular Name: Estriol Estriol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 50-27-1 , 50-27-1, 514-68-1 [as, su , 50-27-1, 514-68-1 [as, succinate] , [50-27-1]
(16.alpha.,17.beta.)-Estra-1,3,5(10)-triene-3,16,17-triol
(16.alpha.,17.beta.)-Oestra-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)-Estratriene-3,16,17-Triol
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol; 50-27-1; C05141; Estriol
1,3,5(10)-Estratriene-3,16.alpha., 17.beta.-triol
1,3,5(10)-Estratriene-3,16.alpha.,17.beta.-triol
1,3,5(10)-Estratriene-3,16alpha,17beta-triol
1,3,5(10)-Estratriene-3,16_,17_-triol
1,3,5-Estratriene-3.beta.,16-.alpha.,17-.beta.-triol
1,3,5-Estratriene-3beta,16alpha,17beta-triol
1,3,5-Oestratriene-3-.beta.,16.alpha.,17.beta.-triol
1,3,5-Oestratriene-3beta,16alpha,17beta-triol
16.alpha.-Hydroxy-17.beta.-estradiol
16alpha-Hydroxy-17beta-estradiol
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
3,16.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.-Trihydroxy-1,3,5(10)-estratriene
3,16.alpha.,17.beta.-Trihydroxyestra-1,3,5(10)-triene
3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene
3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene
3,16alpha,17beta-Trihydroxy-delta-1,3,5-oestratriene
3,16_,17_-Trihydroxy-1,3,5(10)-estratriene
4-06-00-07550 (Beilstein Handbook Reference)
50-27-1; D00185; Estriel (TN); Estriol (JP16/USP)
6EC6F23B-A991-4606-8BC7-146D915DAB31
CHEBI:42467; CHEBI:4869; CHEBI:23969
estra-1(10),2,4-triene-3,16,17-triol, (16alpha,17beta)-
Estra-1,3,5(10)-trien-3,16.alpha., 17.beta.-triol
Estra-1,3,5(10)-trien-3,16.alpha.,17.beta.-triol
Estra-1,3,5(10)-trien-3,16alpha,17beta-triol
Estra-1,3,5(10)-triene-3,16,17-triol
Estra-1,3,5(10)-triene-3,16,17-triol, (16.alpha.,17.beta.)-
Estra-1,3,5(10)-triene-3,16,17-triol, (16alpha,17beta)-
Estra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol
Estra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol
Estra-1,3,5(10)-triene-3,16alpha,17beta-triol
Oestra-1,3,5(10)-triene-3,16-alpha,17-beta-triol
Oestra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol
Oestra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol
Oestra-1,3,5(10)-triene-3,16alpha,17beta-triol
Oestriol [Steroidal oestrogens]
USP); Estriol Acetate Benzoate (JAN); Estriol Propionate (JAN); Estriol Succinate (INN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.51 | 1.56 | -6.31 | 3 | 3 | 0 | 61 | 288.387 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.19e-01 g/l | DrugBank-approved |
| UniProt Database Links | CP2A4_MOUSE; KLOT_MOUSE; UD2B4_HUMAN; UD2B7_HUMAN; UDB23_MACFA; UDB33_MACMU | ChEBI |
| Patent Database Links | EP1457490; EP1535618; EP1618886; EP1652535; EP1872775; EP1911454; EP1944041; US2003114431; US2005143366; US2007212427; US2007225263; US2007243217; US2007248556; US2007248658; US2007264309; WO2007124250; WO2007126938; WO2007131805; WO2007132215 | ChEBI |
| Therapy | estrogen | SMDC Pharmakon |
| Target | Estrogen/progestogen Receptor | Selleck Chemicals |
| PUBCHEM_PATENT_ID | US3962416 | IBM Patent Data |
