General Information of the Compound
| Compound ID |
CP0558994
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| Compound Name |
[(1S,2R,3R,4S,5R,6S,7S,9R,12R)-3,4,5,7-tetraacetyloxy-12-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate
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| Formula |
C25H34O13
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| Molecular Weight |
542.534
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](O)[C@]12OC3(C)C
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| InChI |
InChI=1S/C25H34O13/c1-10-18(34-12(3)27)19(35-13(4)28)22(37-15(6)30)24(9-33-11(2)26)21(36-14(5)29)17(31)16-20(32)25(10,24)38-23(16,7)8/h10,16,18-22,32H,9H2,1-8H3/t10-,16-,18-,19+,20-,21-,22+,24-,25-/m1/s1
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| InChIKey |
WKKFHAVPUIRPMU-QOMLESTBSA-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