Estriol
PubChem CID: 5756
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | estriol, 50-27-1, Oestriol, Trihydroxyestrin, Aacifemine, Estratriol, Ovestrion, Destriol, Ovestin, Theelol, Tridestrin, Oestratriol, Orestin, Ortho-Gynest, 16alpha-Hydroxyestradiol, Deuslon-A, Hemostyptanon, Oestriolum, Hormomed, Klimoral, Overstin, Triovex, Thulol, 16alpha,17beta-Estriol, Gynaesan, Orgastyptin, Estriel, Holin, Trihydroxyoestrin, Hormonin, Synapause, Triodurin, 16alpha-Hydroxyoestradiol, 16-alpha-Hydroxyestradiol, 16alpha,17beta-Oestriol, Colpogyn, Estriolo, Incurin, Estriolo [Italian], (16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol, Estriol, unconjugated, 16alpha-Hydroxy-17beta-estradiol, 16-alpha,17-beta-Estriol, 3,16alpha,17beta-Estriol, 16-alpha,17-beta-Oestriol, 16-alpha-Hydroxyoestradiol, Deuslon A, NSC-12169, Stiptanon, 3,16-alpha,17-beta-Estriol, 3,16-alpha,17-beta-Oestriol, Ovesterin, 16.alpha.-Hydroxyestradiol, Ovo-vinces, 3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene, Klimax E, 16.alpha.,17.beta.-Estriol, 16-Hydroxyestradiol, 1,3,5-Estratriene-3beta,16alpha,17beta-triol, 16.alpha.-Estriol, 1,3,5-Oestratriene-3beta,16alpha,17beta-triol, A 13610, CCRIS 284, Estra-1,3,5(10)-trien-3,16alpha,17beta-triol, Oestra-1,3,5(10)-triene-3,16alpha,17beta-triol, Gynasan, Trimesta, 3,16alpha,17beta-Trihydroxy-delta-1,3,5-oestratriene, oestriol., CHEBI:27974, HSDB 3590, (16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol, Estra-1,3,5(10)-triene-3,16alpha,17beta-triol, EINECS 200-022-2, 16.alpha.-Hydroxyoestradiol, NSC 12169, 3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene, 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, Estriol (Standard), UNII-FB33469R8E, BRN 2508172, 1,3,5(10)-Estratriene-3,16alpha,17beta-Triol, 16.alpha.,17.beta.-Oestriol, DTXSID9022366, OE3, 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol, Oestra-1,3,5(10)-triene-3,16-alpha,17-beta-triol, FB33469R8E, Estra-1,3,5(10)-triene-3,16,17-triol, MFCD00003691, Estra-1,3,5(10)-triene-3,16,17-triol, (16alpha,17beta)-, 16.alpha.-Hydroxy-17.beta.-estradiol, DTXCID002366, Estriol [USP:INN:BAN:JAN], (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, 4-06-00-07550 (Beilstein Handbook Reference), NSC12169, ESTRIOL (MART.), ESTRIOL [MART.], ESTRIOL (USP-RS), ESTRIOL [USP-RS], 1,3,5-ESTRATRIENE-3B,16A,17B-TRIOL, 1306-04-3, ESTRIOL (EP MONOGRAPH), ESTRIOL [EP MONOGRAPH], ESTRIOL (USP MONOGRAPH), Estriol (USP:INN:BAN:JAN), ESTRIOL [USP MONOGRAPH], 3,16.alpha.,17.beta.-Estriol, (16A,17B)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, ESTRIOL (EMA EPAR VETERINARY), ESTRIOL [EMA EPAR VETERINARY], 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, Estriel (TN), Oestriol [Steroidal oestrogens], Estra-1,3,5(10)-triene-3,16,17-triol, (16.alpha.,17.beta.)-, SR-01000721851, 16alpha,17beta Estriol, 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(10)-ESTRATRIENE-3,16,17-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, Trophicreme, 3,16.alpha.,17.beta.-Trihydroxy-.delta.-1,3,5-estratriene, Ostriol, Ovestinon, Gynsan, 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, Estro-Life, 16alpha-Estriol, 3,16-.alpha.,17-.beta.-Oestriol, Holin V, CAS-50-27-1, 16a-Estriol, NCGC00166111-01, 16a,17b-Estriol, Estriol 5.0 Cream, Estriol, 98%, Estra-1,3,5(10)-triene-3,16,17-triol, (16a,17b)-, ESTRIOL [HSDB], Estriol, >=97%, ESTRIOL [JAN], ESTRIOL [MI], 3,16a,17b-Estriol, Prestwick0_001096, Prestwick1_001096, Prestwick2_001096, Prestwick3_001096, Estriol (JP18/USP), E0218, ESTRIOL [WHO-DD], Epitope ID:140131, 1,3,5(10)-Estratrien-3,16.alpha.,17.beta.-triol, Advanced Formula Estro-Life, 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, BPBio1_001290, CHEMBL193482, GTPL2821, Estriol 1.0 mg/ml in Methanol, HY-B0412R, HMS1571K14, HMS2090E20, HMS2098K14, HMS2234A18, HMS3715K14, HMS3884P19, BCP23357, HY-B0412, Tox21_112320, Tox21_301604, BDBM50410506, LMST02010003, s2466, AKOS015894926, Tox21_112320_1, BCP9000661, CCG-221096, DB04573, Estriol 100 microg/mL in Acetonitrile, Estriol, purum, >=97.0% (HPLC), FD12050, FE22836, SMP1_000122, NCGC00166111-02, NCGC00179277-01, NCGC00255193-01, NCGC00274080-01, AS-13735, Estriol, meets USP testing specifications, SMR000059210, BCP0726000219, AB00514045, CS-0694816, Estriol, VETRANAL(TM), analytical standard, NS00009155, WLN: L E5 B666TTT&J E1 FQ GQ OQ, C05141, D00185, Estra-1,3,5(10)-triene-3,16a,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, Q409721, 3,17.beta.-Trihydroxy-.delta.-1,3,5-estratriene, 3,17.beta.-Trihydroxy-.delta.-1,3,5-oestratriene, 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, 3,16alpah,17beta-Trihydroxyestra-1,3,5(10)-triene, 3,16alpha,17beta-Trihydroxyestra-1,3,5(10)-triene, BRD-K17016787-001-03-5, BRD-K17016787-001-13-4, 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, 1,5-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, Estriol, United States Pharmacopeia (USP) Reference Standard, 13beta-METHYL-1,3,5(10)-GONATRIENE-3,16alpha,17beta-TRIOL, 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.)-, (16a,17b)-Estra-1,3,5[10]-triene-3,16,17-triol, Acifemine, Colpogyn, (9beta,13alpha,16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol, 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, 200-022-2 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Description | Estriol (also oestriol) is one of the three main estrogens produced by the human body. Estriol is found in common bean and pomegranate. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Enzyme Uniprot Id | Q9BY64, Q92731, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P03372, Q6UWM9 |
| Uniprot Id | P37059, Q9BY64, Q92731, Q92506, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P14061, P56937, P03372, P08183, P46721, O14756, Q6UWM9, Q53GQ0, Q5DT02, Q5DSZ6, Q5DSZ7, P08185, P04278, Q9GK37, Q9TU15, Q62986, P15207, P9WPP9, P04150, P12530, P31645, P46720, O75496, Q9Y6L6, Q9NPD5, O95342, n.a., Q9H255, P0DTD1, P37840, P10275 |
| Iupac Name | (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 |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 2.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Estrane steroids |
| Molecular Formula | C18H24O3 |
| Inchi Key | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | (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, (16a,17b)-Estra-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)-Estratrien-3,16&alpha, ,17&beta, -triol, 1,3,5(10)-Estratriene-3,16-a,17b-triol, 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol, 1,3,5(10)-Estratriene-3,16-α,17β-triol, 1,3,5(10)-Estratriene-3,16,17-Triol, 1,3,5(10)-Estratriene-3,16&alpha, ,17&beta, -Triol, 1,3,5(10)-Estratriene-3,16alpha,17beta-triol, 13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol, 16-alpha-Hydroxyestradiol, 16-alpha-Hydroxyoestradiol, 16-alpha,17-beta-Estriol, 16-alpha,17-beta-Oestriol, 16-hydroxyestradiol, 16&alpha, -Estriol, 16&alpha, -Hydroxy-17&beta, -estradiol, 16&alpha, -Hydroxyestradiol, 16&alpha, -Hydroxyoestradiol, 16&alpha, ,17&beta, -Estriol, 16&alpha, ,17&beta, -Oestriol, 16a-Estriol, 16a-Hydroxyestradiol, 16a,17b-Estriol, 16alpha-Hydroxy-17beta-estradiol, 16alpha-Hydroxyestradiol, 16alpha-Hydroxyoestradiol, 16alpha,17beta-Estriol, 16alpha,17beta-Oestriol, 16α-hydroxyestradiol, 3,16-&alpha, ,17-&beta, -Oestriol, 3,16-&alpha, ,17-&beta, -Trihydroxyoestra-1,3,5(10)-triene, 3,16-alpha,17-beta-Estriol, 3,16-alpha,17-beta-Oestriol, 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, -Estriol, 3,16&alpha, ,17&beta, -Trihydroxy-1,3,5(10)-estratriene, 3,16&alpha, ,17&beta, -Trihydroxyestra-1,3,5(10)-triene, 3,16a,17b-Estriol, 3,16a,17b-Trihydroxy-delta(1,3,5)-estratriene, 3,16a,17b-Trihydroxy-δ(1,3,5)-estratriene, 3,16a,17b-Trihydroxyestra-1,3,5(10)-triene, 3,16alpha,17beta-Estriol, 3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene, 3,16alpha,17beta-Trihydroxy-Delta(1,3,5)-estratriene, 3,16alpha,17beta-Trihydroxyestra-1,3,5(10)-triene, 3,16α,17β-trihydroxy-δ(1,3,5)-estratriene, Aacifemine, Colpogyn, Colpovister, Destriol, Deuslon a, Deuslon-a, 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, (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-3,16a,17b-triol, Estra-1,3,5(10)-triene-3,16alpha,17beta-triol, Estratriol, Estriel, Estriol, Follicular hormone hydrate, Gynaesan, Gynasan, Hemostyptanon, Holin v, Hormomed, Incurin, Klimax e, Klimoral, Oekolp, 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, Oestratriol, Oestriol, Oestriolum, Orestin, Orgastyptin, ortho-Gynest, Overstin, Ovesterin, Ovestin, Ovestinon, Ovestrion, Ovo-vinces, Theelol, Tridestrin, Trihydroxyestrin, Trihydroxyoestrin, Triovex, (16Α,17β)-estra-1,3,5(10)-triene-3,16,17-triol, 16Α,17β-estriol, 16Α-hydroxyestradiol, 3,16Α,17β-trihydroxy-δ(1,3,5)-estratriene, Holin V, Ortho-gynest, 16-alpha-Hydroxy-estradiol, (16beta,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol, 16beta Hydroxy estradiol, 16beta-Hydroxy-estradiol, Epiestriol, 16 alpha Hydroxy estradiol, 16alpha,17beta Estriol, Estra-1,3,5(10)-triene-3,16beta,17beta-triol, 13beta-Methyl-1,3,5(10)-gonatriene-3,16alpha,17beta-triol, 13β-Methyl-1,3,5(10)-gonatriene-3,16α,17β-triol, 16alpha-Estriol, 16α-Estriol, 3,16α,17β-Estriol, 3,16α,17β-Trihydroxyestra-1,3,5(10)-triene |
| Substituent Name | Estrogen-skeleton, 17-hydroxysteroid, 16-hydroxysteroid, 16-beta-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, Phenanthrene, Tetralin, Benzenoid, Cyclic alcohol, Secondary alcohol, Polyol, 1,2-diol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aromatic homopolycyclic compound |
| Compound Name | Estriol |
| Kingdom | Organic compounds |
| Exact Mass | 288.173 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 288.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 288.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Inchi | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Estrogens and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all