General Information of the Compound
| Compound ID |
CP0045125
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| Compound Name |
17-ethinyl-3,17-estradiol
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| Synonyms |
17 alpha-Ethinylestradiol
17 alpha-Ethynylestradiol
17 alpha-Ethynyloestradiol
17 alpha-ethinyestradiol
17-Ethinyl-3,17-estradiol
17-Ethinyl-3,17-oestradiol
17-Ethinylestradiol
17-Ethynylestradiol
17-Ethynyloestradiol
17-alpha-Ethinyl-17-beta-estradiol
17-alpha-Ethynyl-17-beta-oestradiol
17-alpha-Ethynylestradiol
17-alpha-Ethynylestradiol-17-beta
17-alpha-Ethynylestradiol-l7-beta
17-alpha-Ethynyloestradiol-17-beta
17-alpha-ethynyl estradiol
17.alpha.-Ethinyl-17.beta.-estradiol
17.alpha.-Ethinylestradiol
17.alpha.-Ethynyl-17.beta.-oestradiol
17.alpha.-Ethynylestradiol
17.alpha.-Ethynyloestradiol
17a-Ethynylestradiol
17alpha-Ethinyl estradiol
17alpha-Ethinylestradiol
17alpha-Ethinylestradiol-17beta
17alpha-Ethynylestradiol
17alpha-Ethynyloestradiol
17alpha-Ethynyloestradiol-17beta
Aethinyloestradiolum
Aethinyoestradiol
Aethinyoestradiol [German]
Amenoron
Amenorone
Anovlar
Certostat
Chee-O-Gen
Chee-O-Genf
Component of Demulen
Component of Oracon
Component of Ortrel
Cyclosa
Dicromil
Diognat-E
Diogyn E
Diogyn-E
Diprol
Dyloform
EE(sub 2)
EE2
Effik Brand of Ethinyl Estradiol
Ertonyl
Esteed
Estigyn
Estinyl
Estinyl (TN)
Eston-E
Estopherol
Estoral
Estoral (Orion)
Estoral (VAN)
Estoral [Orion]
Estorals
Estradiol, Ethinyl
Estradiol, Ethynyl
Ethidol
Ethinoral
Ethinyl E2
Ethinyl Estradiol
Ethinyl Estradiol Hemihydrate
Ethinyl Estradiol [USP]
Ethinyl Estradiol, (8 alpha)-Isomer
Ethinyl Oestradiol Effik
Ethinyl estradiol (USP)
Ethinyl-Oestradiol Effik
Ethinyl-oestranol
Ethinylestradiol (JP15/INN)
Ethinylestradiol Jenapharm
Ethinylestradiol [INN:BAN:JAN]
Ethinylestradiolum
Ethinylestradiolum [INN-Latin]
Ethinylestriol
Ethinyloestradiol
Ethinyloestradiol [Steroidal oestrogens]
Ethy 11
Ethynyl estradiol
Ethynylestradiol
Ethynylestradiol, Ethinyl Estradiol
Ethynyloestradiol
Eticyclin
Eticyclol
Eticylol
Etinestrol
Etinestryl
Etinilestradiol
Etinilestradiol [INN-Spanish]
Etinilestradiolo
Etinilestradiolo [DCIT]
Etinoestryl
Etistradiol
Etivex
Feminone
Follicoral
Ginestrene
Hemihydrate, Ethinyl Estradiol
Inestra
Jenapharm Brand of Ethinyl Estradiol
Jenapharm, Ethinylestradiol
Kolpolyn
Linoral
Lynoral
Menolyn
Microfollin
Microfollin Forte
Neo-Estrone
Nogest-S
Novestrol
OVULEN-21
OVULEN-28
Oradiol
Orestralyn
Orestrayln
Organon Brand of Ethinyl Estradiol
Ortho-Cyclen
PUBERTAL ETHINYL ESTRADIOL STUDY
Palonyl
Perovex
Primogyn
Primogyn C
Primogyn M
Progynon C
Progynon M
Prosexol
Schering Brand of Ethinyl Estradiol
Spanestrin
Ylestrol
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| Structure |
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| Formula |
C20H24O2
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| Molecular Weight |
296.41
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
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| InChI |
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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| InChIKey |
BFPYWIDHMRZLRN-SLHNCBLASA-N
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| CAS |
77538-56-8
57-63-6
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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: PT04542, Bile salt export pump
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT04591, Solute carrier family 22 member 2
Protein ID: PT02311, UDP-glucuronosyltransferase 1A1
Clinical Information about the Compound