General Information of the Compound
| Compound ID |
CP0508224
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| Compound Name |
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,17-dione
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| Synonyms |
1,3,5(10)-Estratrien-3-ol-6,17-dione
1476-34-2
3-Hydroxyestra-1,3,5(10)-triene-6,17-dione
3-Hydroxyestra-1,3,5(10)-triene-6,17-dione #
6-Keto Estrone
6-Ketoestrone
6-Oxoestrone
6-oxo-estrone
BDBM50370698
C-44091
CHEMBL1628005
DTXSID50514400
Estra-1,3,5(10)-triene-6,17-dione, 3-hydroxy-
JOVYPIGRPWIXHQ-ONUSSAAZSA-N
MFCD00056399
SCHEMBL1977286
ZINC13547985
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| Structure |
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| Formula |
C18H20O3
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| Molecular Weight |
284.355
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C18H20O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,19H,4-7,9H2,1H3/t12-,13-,15+,18+/m1/s1
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| InChIKey |
JOVYPIGRPWIXHQ-ONUSSAAZSA-N
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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