General Information of the Compound
| Compound ID |
CP0418510
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| Compound Name |
[(1S,2R,4S,5R,6S,7S,9R,12R)-5,7,12-triacetyloxy-4-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate
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| Formula |
C23H32O11
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| Molecular Weight |
484.498
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| Canonical SMILES |
C[C@@H]1C[C@H](O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
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| InChI |
InChI=1S/C23H32O11/c1-10-8-15(28)18(31-12(3)25)22(9-30-11(2)24)20(33-14(5)27)17(29)16-19(32-13(4)26)23(10,22)34-21(16,6)7/h10,15-16,18-20,28H,8-9H2,1-7H3/t10-,15+,16-,18+,19-,20-,22+,23-/m1/s1
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| InChIKey |
ZFNDZHVNJCYSEW-KYJRXYQZSA-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