General Information of the Compound
| Compound ID |
CP0439641
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| Compound Name |
(1R,5bS,11aS,13R,13aS,13bS)-5b-(hydroxymethyl)-8,8,11a,13a-tetramethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[2,1-c]furan-1,13-diol
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| Structure |
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| Formula |
C25H40O4
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| Molecular Weight |
404.591
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| Canonical SMILES |
CC1(C)CCC[C@@]2(C)C1CC[C@@]1(CO)C3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)CC21
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| InChI |
InChI=1S/C25H40O4/c1-22(2)9-5-10-23(3)16(22)8-11-25(14-26)17-7-6-15-13-29-21(28)20(15)24(17,4)19(27)12-18(23)25/h6,16-21,26-28H,5,7-14H2,1-4H3/t16?,17?,18?,19-,20-,21-,23+,24-,25-/m1/s1
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| InChIKey |
PKVICYZLWZIYRA-PUNZARHASA-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