General Information of the Compound
| Compound ID |
CP0396388
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| Compound Name |
[(2S,4aR,4bR,6R,8S,8aR,10aR)-6-hydroxy-1,1,4a,8,8a-pentamethyl-7-oxo-8-(3-oxopentyl)-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] acetate
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| Structure |
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| Formula |
C26H42O5
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| Molecular Weight |
434.617
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| Canonical SMILES |
CCC(=O)CC[C@]1(C)C(=O)[C@H](O)C[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]12C
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| InChI |
InChI=1S/C26H42O5/c1-8-17(28)9-13-26(7)22(30)18(29)15-20-24(5)12-11-21(31-16(2)27)23(3,4)19(24)10-14-25(20,26)6/h18-21,29H,8-15H2,1-7H3/t18-,19+,20-,21+,24+,25-,26-/m1/s1
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| InChIKey |
ZQXRPVNZMWLJAD-AHKSPXFHSA-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: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2