Dienestrol
PubChem CID: 667476
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| Compound Synonyms | dienestrol, Dienoestrol, E,E-Dienestrol, Dehydrostilbestrol, Cycladiene, Dienol, 13029-44-2, Estraguard, Follidiene, Oestrodiene, Estroral, Restrol, Estragard, Gynefollin, Oestrasid, Oestroral, Dinovex, Retalon, 84-17-3, (E,E)-Dienestrol, Estrodienol, Hormofemin, Dehydrostilboestrol, Oestrodienol, Willnestrol, Agaldog, Dinestrol, Follormon, Oestrovis, Sexadien, Teserene, alpha-Dienestrol, para-Dien, Dienestrolum, Dienesterol, Dienestrolo, p,p'-(Diethylideneethylene)diphenol, Dienoestrolum, Di(p-oxyphenyl)-2,4-hexadiene, Dienoestrol bp, 3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene, 4,4'-(Diethylideneethylene)diphenol, Dienestrol [INN], 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol, 3,4-Bis(p-hydroxyphenyl)-2,4-hexadiene, 4,4'-hexa-2,4-diene-3,4-diyldiphenol, Di(para-oxyphenyl)-2,4-hexadiene, Dienestrolum [INN-Latin], UNII-RRW32X4U1F, 4,4'-Hydroxy-gamma,delta-diphenyl-beta,delta-hexadiene, RRW32X4U1F, NSC 59809, CCRIS 9121, Dienestrol trans-form, MLS000069528, para,para'-(Diethylideneethylene)diphenol, Phenol, 4,4'-(diethylideneethylene)di-, 4,4'-(1,2-Diethylidene-1,2-ethanediyl)bisphenol, Dienestrol, .alpha.-, HSDB 3313, 3,4-Bis(para-hydroxyphenyl)-2,4-hexadiene, 2,4-Hexadiene, 3,4-bis(4-hydroxyphenyl)-, EINECS 201-519-7, NSC-59809, .alpha.-dienestrol diacetate, Dienestrol [USP:INN:BAN], SMR000058597, 4,4'-Dihydroxy-gamma,delta-diphenyl-beta,delta-hexadiene, CHEBI:4518, (E,E)-4,4'-(Diethylideneethylene)diphenol, Dienestrol diacetate, .alpha.-, DV, DTXSID7022382, DTXCID50809641, Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E)-, Phenol, 4,4'-[(1E,2E)-1,2-diethylidene-1,2-ethanediyl]bis-, Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, 4,4'-((2E,4E)-hexa-2,4-diene-3,4-diyl)diphenol, Dienestrol (E,E), Phenol, 4,4'-(diethylideneethylene)di-, trans-, (E,E)-, Phenol, 4,4'-((1E,2E)-1,2-diethylidene-1,2-ethanediyl)bis-, 4,4'-(Hexa-2,4-diene-3,4-diyl)diphenol, Dienestrolum (INN-Latin), DIENESTROL (MART.), DIENESTROL [MART.], Dienestrol (USP:INN:BAN), Dienestrolo [DCIT], DIENESTROL (EP IMPURITY), DIENESTROL [EP IMPURITY], DIENESTROL (USP IMPURITY), DIENESTROL [USP IMPURITY], PHENOL, 4,4'-(1,2-DIETHYLIDENE-1,2-ETHANEDIYL)BIS-, (E,E), Dienestrol (USP/INN), SR-01000003032, DV (TN), CAS-84-17-3, Prestwick_52, NCGC00016335-01, Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-, (E,E)-, Phenol, 4,4'-(diethylideneethylene)di-, (E,E)- (8CI), (E,E)-Dienestrol, a-Dienestrol, Dienestrol, Dienoestrol [Nonsteroidal oestrogens], MFCD00050983, Dienestrol (Standard), DIENESTROL, alpha-, DIENESTROL [MI], Opera_ID_421, 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol, alpha-dienestrol diacetate, Prestwick2_000798, Prestwick3_000798, Spectrum5_000875, DIENESTROL [HSDB], DIENESTROL [VANDF], CHEMBL1018, DIENESTROL [WHO-DD], SCHEMBL52170, BSPBio_000936, BSPBio_002177, MLS001077274, MLS002207222, MLS002222156, SPECTRUM1500241, 4,4'-(2E,4E)-hexa-2,4-diene-3,4-diyldiphenol, BPBio1_001030, cid_667476, GTPL7160, SCHEMBL2896853, DIENESTROL [ORANGE BOOK], BDBM40491, HMS502G13, HY-B1403R, DTXSID20873495, G03CB01, G03CC02, HMS1570O18, HMS1920G04, HMS2091M14, HMS2097O18, HMS2232M11, HMS3714O18, Pharmakon1600-01500241, DIENESTROL TRANS-FORM [MI], HY-B1403, Tox21_110378, CCG-40189, NSC756734, s1858, AKOS015902490, Tox21_110378_1, 1ST2217, CS-4911, DB00890, FD21756, NSC-756734, IDI1_000771, NCGC00018153-03, NCGC00018153-04, NCGC00018153-05, NCGC00018153-06, NCGC00018153-07, NCGC00018153-10, NCGC00022210-03, NCGC00022210-04, NCGC00178779-01, NCGC00178779-02, AC-13162, BS-17610, SBI-0051344.P003, D0449, NS00009951, C08090, D00898, D81865, Dienestrol, VETRANAL(TM), analytical standard, AB00051967_16, EN300-24161605, Q5274949, SR-01000003032-2, SR-01000003032-4, BRD-K55106630-001-01-0, BRD-K95309561-001-05-6, BRD-K95309561-001-15-5, BRD-K95309561-001-24-7, 4,4'-Hydroxy-gamma, delta-diphenyl-beta, delta-hexadiene, Dienestrol, European Pharmacopoeia (EP) Reference Standard, 4,4'-Dihydroxy-.gamma.,.delta.-diphenyl-.beta.,.delta.-hexadiene, 201-519-7, 3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene, a-Dienestrol, 4,4'-[(1E,2E)-1,2-Diethylidene-1,2-ethanediyl]bis-phenol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19785, P02545, P10636, Q16665, P16050, P02791, P18054, Q03164, P03372, P00811, P04637, P10253, P08684, P07550, Q96KQ7, Q9UIF8, O15296, P87108, O95149, P84022, P08659, P22309, P54855, O75496, O94925, Q9HC16, Q99700, P43220, Q9NUW8, P37840, Q9NPD5, Q9Y6L6, Q8WZA2, O94782, P27695, n.a., P0DTD1, P10275, Q16236, P04792 |
| Iupac Name | 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT51, NPT211, NPT792, NPT1119, NPT108, NPT539, NPT60, NPT109 |
| Xlogp | 5.4 |
| Molecular Formula | C18H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NFDFQCUYFHCNBW-SCGPFSFSSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.501 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.522 |
| Compound Name | Dienestrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.120407999999999 |
| Inchi | InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+ |
| Smiles | C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all