General Information of the Compound
| Compound ID |
CP0575315
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| Compound Name |
[(1S,2S,4R,5S)-5-[2-[(1R,4aS,4bS,8aR,10aS)-1,4b,8,8,10a-pentamethyl-2,7-dioxo-4a,5,6,8a,9,10-hexahydrophenanthren-1-yl]ethyl]-4,7,7-trimethyl-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
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| Structure |
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| Formula |
C32H48O6
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| Molecular Weight |
528.73
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| Canonical SMILES |
C[C@@H]1C[C@H](OC(C)=O)[C@@H]2O[C@@]1(CC[C@@]1(C)C(=O)C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]13C)OC2(C)C
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| InChI |
InChI=1S/C32H48O6/c1-19-18-21(36-20(2)33)26-28(5,6)38-32(19,37-26)17-16-31(9)25(35)11-10-23-29(7)14-13-24(34)27(3,4)22(29)12-15-30(23,31)8/h10-11,19,21-23,26H,12-18H2,1-9H3/t19-,21+,22+,23+,26+,29+,30+,31+,32+/m1/s1
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| InChIKey |
IGVOXPFWRDCASE-GLKWQEFWSA-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