General Information of the Compound
| Compound ID |
CP0042711
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| Compound Name |
4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
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| Synonyms |
(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene
(E)-4,4'-(hex-3-ene-3,4-diyl)diphenol
(E)-Diethylstilbestrol
3,4'(4,4'-Dihydroxyphenyl)hex-3-ene
3,4-Bis(p-hydroxyphenyl)-3-hexene
3,4-bis(4-hydroxyphenyl)hex-3-ene
4,4'-(3E)-hex-3-ene-3,4-diyldiphenol
4,4'-Dihydroxydiethylstilbene
4,4'-hex-3-ene-3,4-diyldiphenol
APS Brand of Diethylstilbestrol
Acnestrol
Agostilben
Alpha,alpha'-Diethyl-4,4'-stilbenediol
Alpha,alpha'-Diethylstilbenediol
Anti gestil
Antigestil
Apstil
Bufon
Cis-Des
Cis-Diethylstilbesterol
Cis-Diethylstilbestrol
Climaterine
Co Pharma Brand of Diethylstilbestrol
Co-Pharma Brand of Diethylstilbestrol
Comestrol
Comestrol estrobene
Cyren
Cyren A
DES
DES (synthetic estrogen)
Dawe's destrol
Desma
Destrol
Di-Estryl
DiBestrol "2" Premix
DiBestrol 2 Premix
Diaethylstilboestrolum
Diastyl
Dibestrol
Dibestrol '2' premix
Dicorvin
Diethylstilbesterol
Diethylstilbestrol
Diethylstilbestrol (DES)
Diethylstilbestrol (USP/INN)
Diethylstilbestrol BP
Diethylstilbestrol [USAN:INN]
Diethylstilbestrol, (Z)-Isomer
Diethylstilbestrol, Disodium Salt
Diethylstilbestrolum
Diethylstilbestrolum [INN-Latin]
Diethylstilboesterol
Dietilestilbestrol
Dietilestilbestrol [INN-Spanish]
Dietilestilbestrol [Spanish]
Dietilstilbestrolo
Dietilstilbestrolo [DCIT]
Distilbene
Domestrol
Dyestrol
E-Diethylstilbestrol
Estilbin (MCO)
Estilbin MCO
Estril
Estrobene
Estrogen, Stilbene
Estrogenine
Estromenin
Estrosyn
Fonatol
Gerda Brand of Diethylstilbestrol
Grafestrol
Gynopharm
Hi-Bestrol
Hibestrol
Idroestril
Iscovesco
MG 137
Makarol
Menostilbeen
Micrest
Microest
Milestrol
Neo-Oestranol 1
Neo-Oestranol I
Neo-oe stranol 1
New-Estranol 1
OeKolp
Oestrogenine
Oestrol vetag
Oestrolmensil
Oestromenin
Oestromensil
Oestromensyl
Oestromienin
Oestromon
Pabestrol
Palestrol
Percutatrine oestrogenique iscovesco
Protectona
Rumestrol 1
Rumestrol 2
ST IL
Sedestran
Serral
Sexocretin
Sibol
Sintestrol
Stibilium
Stil-Rol
Stilbene Estrogen
Stilbestroform
Stilbestrol
Stilbestrol (TN)
Stilbestrone
Stilbetin
Stilboefral
Stilboestroform
Stilboestrol
Stilbofolin
Stilbofollin
Stilbol
Stilkap
Strobene
Synestrin
Synthestrin
Synthoestrin
Synthofolin
Syntofolin
TRANS-DIETHYSTILBESTEROL
TRANSGENIC MODEL EVALUATION (DES)
Tampovagan
Tampovagan stilboestrol
Trans-Diethylstilbesterol
Trans-Diethylstilbestrol
Trans-Diethylstilboesterol
Tylosterone
Vagestrol
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| Structure |
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| Formula |
C18H20O2
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| Molecular Weight |
268.356
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| Canonical SMILES |
CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
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| 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+
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| InChIKey |
RGLYKWWBQGJZGM-ISLYRVAYSA-N
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| CAS |
56-53-1
8026-45-7
8028-09-9
8030-34-0
8049-42-1
8053-00-7
6898-97-1
22610-99-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT00886, Estrogen receptor
Cell-based Assay
Protein ID: PT00889, Estrogen receptor beta
Protein ID: PT06109, Geminin
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound