General Information of the Compound
| Compound ID |
CP0450083
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| Compound Name |
(3S,5R,8R,9R,10R,12R,13R,14R,17R)-3,12-dihydroxy-17-methoxy-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
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| Structure |
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| Formula |
C23H38O4
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| Molecular Weight |
378.553
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| Canonical SMILES |
CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
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| InChI |
InChI=1S/C23H38O4/c1-20(2)15-7-10-22(4)16(21(15,3)9-8-17(20)25)11-13(24)19-14(27-6)12-18(26)23(19,22)5/h13-17,19,24-25H,7-12H2,1-6H3/t13-,14-,15+,16-,17+,19-,21+,22-,23-/m1/s1
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| InChIKey |
ZENVSCKOBKOTSJ-RTFSNDOKSA-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
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2