| Phytochemical Name : Estriol |
| PCNDIDE0071 |
| Pubchem CID : 5756 |
| Molecular formula: C18H24O3 |
| Canonical SMILES : CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O |
Synonymes : estriol|50-27-1|Oestriol|Trihydroxyestrin|Aacifemine|Estratriol|Ovestin|Ovestrion|Destriol|Tridestrin|Theelol|Oestratriol|Orestin|16alpha-Hydroxyestradiol|Ortho-Gynest|Deuslon-A|Hemostyptanon|Hormomed|Klimoral|Oestriolum|Orgastyptin|Overstin|Thulol|Triovex|Holin|16alpha,17beta-Estriol|Gynaesan|Hormonin|Stiptanon|Synapause|Triodurin|Estriel|Trihydroxyoestrin|16-alpha-Hydroxyestradiol|Estriolo [Italian]|16alpha-Hydroxyoestradiol|16alpha,17beta-Oestriol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|Colpogyn|Estriolo|Incurin|16alpha-Hydroxy-17beta-estradiol|Estriol, unconjugated|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|16-alpha-Hydroxyoestradiol|Deuslon A|NSC-12169|3,16alpha,17beta-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|16.alpha.-Hydroxyestradiol|16.alpha.,17.beta.-Estriol|3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene|16.alpha.-Estriol|Chlorapatite|Gynasan|Ovesterin|Estriol [USAN:JAN]|oestriol.|1,3,5-Estratriene-3beta,16alpha,17beta-triol|Ovo-vinces|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|A 13610|Klimax E|Estra-1,3,5(10)-trien-3,16alpha,17beta-triol|Oestra-1,3,5(10)-triene-3,16alpha,17beta-triol|16.alpha.-Hydroxyoestradiol|3,16alpha,17beta-Trihydroxy-delta-1,3,5-oestratriene|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|CCRIS 284|Estriel (TN)|16-Hydroxyestradiol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|Oestriol [Steroidal oestrogens]|1,3,5(10)-Estratriene-3,16alpha,17beta-Triol|16.alpha.,17.beta.-Oestriol|1,3,5(10)-Estratriene-3,16-alpha,17beta-triol|CHEBI:27974|Estra-1,3,5(10)-triene-3,16alpha,17beta-triol|HSDB 3590|Oestra-1,3,5(10)-triene-3,16-alpha,17-beta-triol|3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene|Estra-1,3,5(10)-triene-3,16,17-triol|EINECS 200-022-2|NSC 12169|OE3|1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL|16.alpha.-Hydroxy-17.beta.-estradiol|BRN 2508172|(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol|UNII-FB33469R8E|Estriol [USP:INN:BAN:JAN]|DTXSID9022366|C18H24O3|Estra-1,3,5(10)-triene-3,16,17-triol, (16alpha,17beta)-|3,16.alpha.,17.beta.-Estriol|FB33469R8E|NSC12169|Estra-1,3,5(10)-triene-3,16,17-triol, (16a,17b)-|E0218|Estra-1,3,5(10)-triene-3,16,17-triol, (16.alpha.,17.beta.)-|1306-04-3|4-06-00-07550 (Beilstein Handbook Reference)|DTXCID002366|1,3,5(10)-Estratriene-3,16.alpha.,17.beta.-triol|Estra-1,3,5(10)-trien-3,16.alpha.,17.beta.-triol|Estra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol|1,3,5-Estratriene-3.beta.,16-.alpha.,17-.beta.-triol|1,3,5-Oestratriene-3-.beta.,16.alpha.,17.beta.-triol|3,16.alpha.,17.beta.-Trihydroxy-1,3,5(10)-estratriene|3,16.alpha.,17.beta.-Trihydroxyestra-1,3,5(10)-triene|Oestra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol|3,16.alpha.,17.beta.-Trihydroxy-.delta.-1,3,5-estratriene|3,16.alpha.,17.beta.-Trihydroxy-.delta.-1,3,5-oestratriene|(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|MFCD00003691|16a-Hydroxyestradiol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol|3,17.beta.-Estriol|SR-01000721851|Ovestinon|Trimesta|oestriol-|3,16-.alpha.,17-.beta.-Oestriol|Holin V|CAS-50-27-1|16a-Estriol|NCGC00166111-01|(8R,9S,13S,14S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol|16a,17b-Estriol|Estriol, 98%|ESTRIOL [HSDB]|Estriol, >=97%|ESTRIOL [JAN]|ESTRIOL [MI]|3,16a,17b-Estriol|ESTRIOL [MART.]|Prestwick0_001096|Prestwick1_001096|Prestwick2_001096|Prestwick3_001096|Estriol (JP15/USP)|Estriol (JP17/USP)|ESTRIOL [USP-RS]|ESTRIOL [WHO-DD]|D0Z1FX|Epitope ID:140131|1,3,5(10)-Estratrien-3,16.alpha.,17.beta.-triol|Estra-1,3,5(10)-triene-3,16-.alpha., l7-.beta.-triol|SCHEMBL78033|BSPBio_001172|ESTRIOL [GREEN BOOK]|3,16-.alpha.,17-.beta.-Trihydroxyoestra-1,3,5(10)-triene|MLS000069812|BIDD:ER0124|SPBio_003056|ESTRIOL [EP MONOGRAPH]|BPBio1_001290|CHEMBL193482|GTPL2821|ESTRIOL [USP MONOGRAPH]|Estriol 1.0 mg/ml in Methanol|HMS1571K14|HMS2090E20|HMS2098K14|HMS2234A18|HMS3715K14|HMS3884P19|BCP23357|HY-B0412|Tox21_112320|Tox21_301604|BDBM50410506|LMST02010003|s2466|ESTRIOL [EMA EPAR VETERINARY]|AKOS015894926|Tox21_112320_1|BCP9000661|CCG-221096|DB04573|Estriol 100 microg/mL in Acetonitrile|Estriol, purum, >=97.0% (HPLC)|FD12050|SMP1_000122|NCGC00166111-02|NCGC00179277-01|NCGC00255193-01|NCGC00274080-01|AS-13735|Estriol, meets USP testing specifications|LS-64877|SMR000059210|BCP0726000219|AB00514045|Estriol, VETRANAL(TM), analytical standard|WLN: L E5 B666TTT&J E1 FQ GQ OQ|C05141|D00185|Estra-1,3,5(10)-triene-3,16a,17b-triol|1,3,5-ESTRATRIENE-3B,16A,17B-TRIOL|3,16a,17b-Trihydroxyestra-1,3,5(10)-triene|3,17.beta.-Trihydroxy-1,3,5(10)-estratriene|3,17.beta.-Trihydroxyestra-1,3,5(10)-triene|AB00514045-08|AB00514045-09|AB00514045_10|EN300-7390799|(16.alpha.,3,5(10)-triene-3,16,17-triol|1,3,5-estratriene-3beta,16alpha,17-beta-triol|Q409721|3,17.beta.-Trihydroxy-.delta.-1,3,5-estratriene|3,17.beta.-Trihydroxy-.delta.-1,3,5-oestratriene|Q-201072|SR-01000721851-3|SR-01000721851-4|1,5(10)-Estratriene-3,16.alpha., 17.beta.-triol|1,5(10)-Estratriene-3,16.alpha.,17.beta.-triol|3,16alpha,17beta-Trihydroxyestra-1,3,5(10)-triene|BRD-K17016787-001-03-5|BRD-K17016787-001-16-7|Estra-1,5(10)-trien-3,16.alpha.,17.beta.-triol|Estra-1,5(10)-triene-3,16.alpha.,17.beta.-triol|1,3,5(10)-Estratriene-3,16.alpha., 17.beta.-triol|1,5-Estratriene-3.beta.,16-.alpha.,17-.beta.-triol|1,5-Oestratriene-3-.beta.,16.alpha.,17.beta.-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|Estra-1,5(10)-trien-3,16.alpha., 17.beta.-triol|Estra-1,5(10)-triene-3,16.alpha., 17.beta.-triol|Estriol, European Pharmacopoeia (EP) Reference Standard|Oestra-1,5(10)-triene-3,16.alpha., 17.beta.-triol|Oestra-1,5(10)-triene-3,16.alpha.,17.beta.-triol|6EC6F23B-A991-4606-8BC7-146D915DAB31|Estra-1,3,5(10)-trien-3,16.alpha., 17.beta.-triol|Estra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol|Oestra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol|Estra-1,3,5(10)-trieno-3,16,17-triol, (16?,17?)-|Estriol, United States Pharmacopeia (USP) Reference Standard|(16-alpha,17-beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16A,17B)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL|(S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acidt-butyl ester|estra-1(10),2,4-triene-3,16,17-triol, (16alpha,17beta)-|Estra-1,5(10)-triene-3,16,17-triol, (16.alpha.,17.beta.)-|13.BETA.-METHYL-1,3,5(10)-GONATRIENE-3,16.ALPHA.,17.BETA.-TRIOL|Estriol for system suitability, European Pharmacopoeia (EP) Reference Standard|(13S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol|(1R,2R,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triol|(8R,13S,16R,17R)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol|(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.230 |
| Log Po/w (XLOGP3) : 2.450 |
| Log Po/w (WLOGP) : 2.580 |
| Log Po/w (MLOGP) : 2.650 |
| Log Po/w (SILICOS-IT) : 2.340 |
| Consensus Log Po/w : 2.450 |

