General Information of the Compound
| Compound ID |
CP0006292
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| Compound Name |
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol
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| Synonyms |
17 beta-Estradiol
17-.BETA.-Estradiol
17-beta-OH-estradiol
17-beta-estradiol
17.beta.-Estradiol
17.beta.-Oestradiol
17b-Oestradiol
17beta oestradiol
17beta-Estradiol
17beta-Oestradiol
3,17-beta-Estradiol
3,17-beta-Oestradiol
3,17.beta.-Estradiol
3,17beta-Estradiol
Activella (TN)
Aerodiol
Alora
Alora (TN)
Alpha-Oestradiol
Altrad
AngeliQ (TN)
Aquadiol
B-Estradiol
Bardiol
Beta-Estradiol
Beta-Oestradiol
Beta-estradiol
CMC_11154
Cis-Estradiol
Cis-Oestradiol
Climaderm
Climara
Climara (TN)
Climara Forte
Component of Menrium
Compudose
Compudose 200
Compudose 365
Corpagen
D-3,17beta-Estradiol
D-Estradiol
D-Oestradiol
Dermestril
Destradiol
Dihydrofolliculin
Dihydromenformon
Dihydrotheelin
Dihydroxyesterin
Dihydroxyestrin
Dihydroxyoestrin
Dimenformon
Diogyn
Diogynets
Divigel
Divigel (TN)
E 2
E 8875
E(sub 2)
E0025
Elestrin
Elestrin (TN)
Encore
Epiestriol 50
Esclim
Estrace
Estrace (TN)
Estraderm
Estraderm (TN)
Estraderm MX
Estraderm TTS
Estraderm TTS (TN)
Estraderm TTS 100
Estraderm TTS 50
Estradiol
Estradiol [USAN:INN]
Estradiol acetate (TN)
Estradiol cypionate (TN)
Estradiol valerate (TN)
Estradiol-17 beta
Estradiol-17-beta
Estradiol-17beta
Estradiol-3,17beta
Estradiolo
Estradiolo [DCIT]
Estradiolum
Estradiolum [INN]
Estradot
Estraldine
Estrapak 50
Estrasorb
Estrasorb (TN)
Estrasorb Topical (TN)
Estreva
Estrifam
Estring
Estring (TN)
Estring vaginal ring
Estroclim
Estroclim 50
Estrodiolum
Estrofem (TN)
Estrofem 2
Estrofem Forte
Estrogel
Estrogel (TN)
Estrovite
EvaMist (TN)
Evamist
Evorel
Extrasorb
Femanest
Femestral
Femestrol
Fempatch
Femring (TN)
Femtran
Follicyclin
Gelestra
Ginedisc
Ginosedol
GynPolar
Gynergon
Gynestrel
Gynodiol
Gynoestryl
Innofem
Innofem (TN)
Lamdiol
Macrodiol
Macrol
Menest
Menorest
Menostar (TN)
Microdiol
Nordicol
Oesclim
Oestergon
Oestradiol
Oestradiol Berco
Oestradiol R
Oestradiol-17-beta
Oestradiol-17beta
Oestradiolum
Oestrogel
Oestroglandol
Oestrogynal
Ovahormon
Ovasterol
Ovastevol
Ovociclina
Ovocyclin
Ovocycline
Ovocylin
Perlatanol
Polyestradiol
Primofol
Profoliol
Progynon
Progynon DH
Progynon-DH
Progynova (TN)
S-21400
SK-Estrogens
SL-1100
Sandrena 1
Sandrena Gel
Sisare Gel
Syndiol
Systen
Tradelia
Trial SAT
Trocosone
VIVELLE-DOT
Vagifem
Vagifem (TN)
Vivelle
Vivelle (TN)
Vivelle-Dot (TN)
Zerella
Zesteem
Zesteen
Zumenon
[2,4,6,7-3H]-E2
[3H]-estradiol
[3H]]estradiol
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| Structure |
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| Formula |
C18H24O2
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| Molecular Weight |
272.388
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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| InChIKey |
VOXZDWNPVJITMN-ZBRFXRBCSA-N
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| CAS |
50-28-2
73459-61-7
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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: PT00886, Estrogen receptor
Cell-based Assay
Biochemical Assays
Protein ID: PT00889, Estrogen receptor beta
Cell-based Assay
Biochemical Assays
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT04591, Solute carrier family 22 member 2
Protein ID: PT06607, Solute carrier family 22 member 3
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Protein ID: PT02640, Steroid hormone receptor ERR2
Protein ID: PT01689, Steryl-sulfatase
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Clinical Information about the Compound