General Information of the Compound
| Compound ID |
CP0377531
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| Compound Name |
[(1S,2S,5S,6S,7R,8S,9R,12R)-5-acetyloxy-2-hydroxy-2,6,10,10-tetramethyl-12-methylsulfonyloxy-8-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Structure |
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| Formula |
C34H40O11S
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| Molecular Weight |
656.75
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2OS(C)(=O)=O)[C@H](OC(=O)\C=C\c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C
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| InChI |
InChI=1S/C34H40O11S/c1-21(35)41-24-19-20-32(4,38)34-28(44-46(6,39)40)26(31(2,3)45-34)27(42-25(36)18-17-22-13-9-7-10-14-22)29(33(24,34)5)43-30(37)23-15-11-8-12-16-23/h7-18,24,26-29,38H,19-20H2,1-6H3/b18-17+/t24-,26+,27-,28+,29-,32-,33-,34-/m0/s1
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| InChIKey |
ZROPMYMQHUXTFW-KOCFDHICSA-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