General Information of the Compound
| Compound ID |
CP0418512
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| Compound Name |
[(1S,2R,3R,4S,5R,6S,7S,9R,12R)-4,5,7-triacetyloxy-3,12-dihydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate
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| Formula |
C23H32O12
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| Molecular Weight |
500.497
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| Canonical SMILES |
C[C@@H]1[C@@H](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/C23H32O12/c1-9-15(28)17(32-11(3)25)20(34-13(5)27)22(8-31-10(2)24)19(33-12(4)26)16(29)14-18(30)23(9,22)35-21(14,6)7/h9,14-15,17-20,28,30H,8H2,1-7H3/t9-,14-,15-,17+,18-,19-,20+,22-,23-/m1/s1
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| InChIKey |
RAQLJKDOWVEJCN-YPNSCLPHSA-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