General Information of the Compound
| Compound ID |
CP0556573
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| Compound Name |
[(1R)-1-[(1S,2R,4S,6S,8R,12S,13S,14S,19R)-12-hydroxy-1,2,8,14,18,18-hexamethyl-17-oxo-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-6-yl]-2-methoxy-2-methylpropyl] acetate
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| Structure |
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| Formula |
C33H52O6
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| Molecular Weight |
544.773
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| Canonical SMILES |
COC(C)(C)[C@H](OC(C)=O)[C@@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O1
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| InChI |
InChI=1S/C33H52O6/c1-18-15-22(28(38-19(2)34)30(5,6)37-10)39-23-17-33(9)20(26(18)23)16-21(35)27-31(7)13-12-25(36)29(3,4)24(31)11-14-32(27,33)8/h18,21-24,27-28,35H,11-17H2,1-10H3/t18-,21+,22+,23+,24+,27+,28-,31+,32+,33+/m1/s1
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| InChIKey |
CRDLBGMHYXRHDH-XBKPOWCMSA-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