General Information of the Compound
| Compound ID |
CP0063761
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| Compound Name |
(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
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| Synonyms |
17-Epiestradiol
17-alpha-Estradiol
17-epi-Estradiol
17a-estradiol
17alpha estradiol
17alpha-Estradiol
17alpha-Oestradiol
3,17-Dihydroxyestratriene
3VQ38D63M7
57-91-0
Alfatradiol
Alfatradiol (INN)
Alfatradiol [INN]
CHEBI:17160
Drug screening (Parkinsons), MitoKor
Epiestradiol
Epiestrol
Estra-1,3,5(10)-triene-3,17alpha-diol
Estradiol, 17alpha-
Estradiol-17alpha
Estrogen analogs (Parkinsons), Mitokor
MITO-4509
MX-4509
NSC 20293
Oestradiol-17-alpha
Oestradiol-17alpha
Parkinsons therapeutics, MitoKor
UNII-3VQ38D63M7
VOXZDWNPVJITMN-SFFUCWETSA-N
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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-SFFUCWETSA-N
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| CAS |
57-91-0
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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
Clinical Information about the Compound