Diethylstilbestrol
PubChem CID: 448537
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| Compound Synonyms | diethylstilbestrol, 56-53-1, Stilbestrol, Stilboestrol, Distilbene, Estrobene, Estromenin, Stilbetin, Stilboestroform, Agostilben, Antigestil, Palestrol, Synestrin, Vagestrol, Fonatol, Dietilestilbestrol, Comestrol, Domestrol, Grafestrol, Iscovesco, Milestrol, Oestrogenine, Oestromenin, Oestromensyl, Sexocretin, Stilboefral, Synthoestrin, Synthofolin, Diastyl, Estrosyn, Makarol, Microest, Stilkap, Bufon, Cyren A, Diethylstilbesterol, Serral, Sibol, Dawe's destrol, Hi-Bestrol, Di-Estryl, Neo-Oestranol I, Stil-Rol, Menostilbeen, Oestromienin, Stilbestrone, Acnestrol, Dyestrol, Oestromon, Pabestrol, Stilbofolin, Syntofolin, Micrest, Cyren, Desma, Diethylstilboesterol, OeKolp, trans-Diethylstilbestrol, Bio-des, Rumestrol 1, Rumestrol 2, Climaterine, Dibestrol, Dicorvin, Gynopharm, Idroestril, Oestromensil, Protectona, Sedestran, Sintestrol, Stibilium, Tylosterone, Comestrol estrobene, Stilbol, Oestrol vetag, DiBestrol 2 Premix, Estilbin MCO, neo-Oestranol 1, Synthestrin, Destrol, Estril, trans-Diethylstilbesterol, trans-Diethylstilboesterol, STIL, (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene, Tampovagan stilboestrol, DES, Dibestrol '2' premix, New-Estranol 1, Diethylstilbestrolum, Stilbestroform, Estrogenine, 6898-97-1, DES (synthetic estrogen), Stilbestrol, diethyl-, Percutatrine oestrogenique iscovesco, (E)-4,4'-(hex-3-ene-3,4-diyl)diphenol, 4,4'-Dihydroxydiethylstilbene, diethylstilbestrol (DES), NSC-3070, Rcra waste number U089, Stilbestro, Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, Dietilestilbestrol [Spanish], 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol, (E)-Diethylstilbestrol, 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol, alpha,alpha'-Diethylstilbenediol, Stilbestrol (TN), (E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, 4,4'-(Hex-3-ene-3,4-diyl)diphenol, Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-, 4,4'-Dihydroxy-alpha,beta-diethylstilbene, trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, 3,4-Bis(p-hydroxyphenyl)-3-hexene, alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol, 731DCA35BT, DTXSID3020465, CHEBI:41922, trans-Diethyl Stilbestrol, Diethylstilbestrol BP, CHEMBL411, 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-, DTXCID10465, DIETHYLSTILBESTROL [MI], Phenol 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-, DIETHYLSTILBESTROL [INN], Stilbofollin, Tampovagan, DIETHYLSTILBESTROL [HSDB], DIETHYLSTILBESTROL [IARC], DIETHYLSTILBESTROL [VANDF], NSC3070, DIETHYLSTILBESTROL [MART.], DIETHYLSTILBESTROL [USP-RS], DIETHYLSTILBESTROL [WHO-DD], .alpha.,.alpha.'-Diethyl-(E)-4,4'-stilbenediol, cis-Des, Stilbene Estrogen, .alpha.,.alpha.'-Diethylstilbenediol, 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol, MFCD00002373, Diethyl stilbestrol, E-Diethylstilbestrol, DIETHYLSTILBESTROL [ORANGE BOOK], hibestrol, oestrolmensil, Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-, strobene, Diaethylstilboestrolum, DIETHYLSTILBESTROL [EP MONOGRAPH], NCGC00090749-04, DIETHYLSTILBESTROL [USP MONOGRAPH], Apstil, cis-Diethylstilbesterol, (E,Z)-Diethylstilbestrol, Dietilstilbestrolo, diethylstilboestrol, Estrogen, Stilbene, Dietilstilbestrolo [DCIT], 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, (E)-, DTXCID1020770, DIETHYLSTILBESTROL (IARC), 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol, DIETHYLSTILBESTROL (MART.), DIETHYLSTILBESTROL (USP-RS), Diethylstilbestrolum [INN-Latin], Dietilestilbestrol [INN-Spanish], DIETHYLSTILBESTROL (EP MONOGRAPH), MG 137, DIETHYLSTILBESTROL (USP MONOGRAPH), SMR000058263, CCRIS 240, CAS-6898-97-1, (Z,E)-Diethylstilbestrol, Estilbin ''MCO'', HSDB 3060, DiBestrol '2' Premix, SR-01000745070, EINECS 200-278-5, RCRA waste no. U089, DTXSID3040770, BRN 2056095, UNII-731DCA35BT, alpha,alpha'-Diethyl-4,4'-stilbenediol, Stilboesterol, Bertrol, Boestrol, Diethylstilbestrol (USP/INN), TRANS-DIETHYSTILBESTEROL, cis-alpha,alpha'-Diethyl-4,4'-stilbenediol, 4,4'-(3-HEXENE-3,4-DIYL)DIPHENOL, Neo-Oestronol I, 3erd, Diethylstilbenediol, CAS-56-53-1, Diethylstilbestrol [USP:INN:BAN], Prestwick_1070, (Z)-4,4'-(1,2-Diethyl-1,2-ethylenediyl)bisphenol, 4-(4-(4-hydroxyphenyl)hex-3-en-3-yl)phenol, 3,4'(4,4'-Dihydroxyphenyl)hex-3-ene, ESTILBIN 'MCO, Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (Z)-, Diethylstilbestrol [Nonsteroidal oestrogens], ESTILBIN''MCO'', Prestwick2_000756, Prestwick3_000756, Spectrum5_000799, 4, 2,2'-diethyl-, trans-alpha,alpha'-Diethyl-4,4'-Stilbenediol, (E)-alpha, alpha'-diethyl-4,4'-stilbenediol, SCHEMBL9223, BSPBio_000772, BSPBio_002201, Diethylstilbestrol (Standard), 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (Z)-, MLS000028447, MLS002174252, MLS002222298, BIDD:ER0159, SPECTRUM1500244, BPBio1_000850, GTPL2801, trans-.alpha.,4'-stilbenediol, 4, .alpha.,.alpha.-diethyl-, 4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol, REGID_for_CID_448537, BDBM20625, CHEBI:92795, HMS501J21, RGLYKWWBQGJZGM-ISLYRVAYSA-, 4, .alpha.,.alpha.'-diethyl-, alpha, alpha'-Diethylstilbenediol, G03CB02, G03CC05, L02AA01, WLN: QR DY2&UY2&R DQ, 3,4'-Dihydroxyphenyl)hex-3-ene, HMS1570G14, HMS1920G08, HMS2090C14, HMS2091M18, HMS2097G14, HMS2232N11, HMS3650A09, HMS3714G14, Pharmakon1600-01500244, 3-Hexene,4-bis(p-hydroxyphenyl)-, NSC 3070, Tox21_111005, Tox21_202407, Tox21_300526, CCG-38961, Diethylstilbestrol, >=99% (HPLC), HY-14598R, MSK011010, NSC756736, s1859, STK366318, 3, 4-Bis(p-hydroxyphenyl)-3-hexene, 3-Hexene,3,4-bis(p-hydroxyphenyl)-, 4,4'-Stilbenediol, 2,2'-diethyl-, AKOS005111142, DIETHYLSTILBESTROL (diethylstilbestr, Tox21_111005_1, .alpha., .alpha.'-Diethylstilbenediol, 4,2-Diethyl-1,2-ethenediyl)bisphenol, DB00255, NSC-756736, 3-Hexene, 3,4-bis(p-hydroxyphenyl)-, IDI1_000519, NCGC00090749-01, NCGC00090749-02, NCGC00090749-03, NCGC00090749-05, NCGC00090749-06, NCGC00090749-07, NCGC00090749-08, NCGC00090749-09, NCGC00090749-12, NCGC00090749-15, NCGC00254539-01, NCGC00259956-01, 4, .alpha.,.alpha.'-diethyl-, (E)-, AS-13377, HY-14598, LS-14649, 2,2'-DIETHYL-4,4'-STILBENEDIOL, BOVINE MUSCLE (diethylstilbestrol blank), SBI-0051346.P003, 1ST011010, 3,4-Bis(p-hydroxyphenyl)-3-hexene, trans, 4,4'-Dihydroxy-alpha, beta-diethylstilbene, 3,4-BIS(PARAHYDROXYPHENYL)-3-HEXENE, CS-0369240, D0526, NS00010902, SW197137-4, .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol, 3,4-(Di-4-hydroxyphenyl)hex-3-ene, (E)-, 3-Hexene,3,4-bis(p-hydroxyphenyl)-, (E)-, Trans-bis-(hydroxy-4-phenyl)-3,4 hexene-3, 4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene, C07620, D00577, D81873, EN300-120642, 4,4'-Dihydroxy-.alpha., .beta.-diethylstilbene, EN300-1268179, A831077, Q423989, 4,4'-STILBENEDIOL, ALPHA, ALPHA'-DIETHYL-, SR-01000745070-3, SR-01000745070-4, SR-01000745070-5, SR-01000745070-9, trans-.alpha.,.alpha.'-Diethyl-4,4'-stilbenediol, trans-.alpha.,.alpha.'-diethyl-4-4'-stilbenediol, 4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, trans, 4,4'-Stilbenediol, .alpha.,.alpha.-diethyl-, (E)-, 4,4'[(1E)-1,2-diethyl-1,2-ethenediyl]bis-phenol, BRD-K17084514-001-01-7, BRD-K45330754-001-09-2, BRD-K45330754-001-21-7, BRD-K45330754-001-22-5, Diethylstilbestrol, VETRANAL(TM), analytical standard, Phenol,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-, 4,4'-(1,2-DIETHYL-1,2-ETHENEDIYL)BIS-PHENOL, 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-(8CI), TRANS-4,4'-DIHYDROXY-ALPHA,BETA-DIETHYLSTILBENE, Z2568587997, 4,4'-STILBENEDIOL, ALPHA, ALPHA'-DIETHYL-, (E)-, Diethylstilbestrol, European Pharmacopoeia (EP) Reference Standard, Diethylstilbestrol, United States Pharmacopeia (USP) Reference Standard, 200-278-5, 678-392-3, InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Estrogens, Oestrogen, Oestrogens, (e)-3,4-Bis(4-hydroxyphenyl)-3-hexene, (e)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, 4,4'-Dihydroxy-alpha,beta-diethylstilbene, alpha,Alpha'-diethyl-(e)-4,4'-stilbenediol, DES, Diethylstilbestrolum, Dietilestilbestrol, Distilbene, trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, trans-Diethylstilbesterol, trans-Diethylstilbestrol, trans-Diethylstilboesterol, Stilbestrol, 4,4'-Dihydroxy-a,b-diethylstilbene, 4,4'-Dihydroxy-α,β-diethylstilbene, a,Alpha'-diethyl-(e)-4,4'-stilbenediol, Α,alpha'-diethyl-(e)-4,4'-stilbenediol, Agostilben, Apstil, Diethylstilbestrol, (Z)-isomer, Diethylstilbestrol, disodium salt, Distilbène, Estrogen, stilbene, Stilbene estrogen, Tampovagan, co Pharma brand OF diethylstilbestrol, Gerda brand OF diethylstilbestrol, APS brand OF diethylstilbestrol, CO-Pharma brand OF diethylstilbestrol, Diethylstilbesterol, Diethylstilbestrol BP, Diethylstilboesterol, Percutatrine oestrogenique iscovesco, Rcra waste number u089 |
| Heavy Atom Count | 20.0 |
| Compound Name | Diethylstilbestrol |
| Kingdom | Organic compounds |
| Description | A steroid hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. (ChEBI). Estrogen is found in date and apricot. |
| Exact Mass | 268.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.146 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Uniprot Id | P21964, Q92731, P22309, P08684, P11712, P05181, P11511, P10632, P11509, P03372, P08183, Q9UNQ0, P0DMM9 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Stilbenes |
| Inchi | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ |
| Smiles | CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O |
| Xlogp | 5.1 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Stilbenes |
| Molecular Formula | C18H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:fooddb_chem_all