General Information of the Compound
| Compound ID |
CP0377534
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| Compound Name |
[(1S,2R,4S,7S,8S,9R,10S,11R)-7-acetyloxy-4,8,12,12-tetramethyl-10-[(E)-3-phenylprop-2-enoyl]oxy-3,13-dioxatetracyclo[6.5.0.01,4.02,11]tridecan-9-yl] benzoate
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| Structure |
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| Formula |
C33H36O8
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| Molecular Weight |
560.643
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@]2(C)O[C@@H]3[C@H]4[C@H](OC(=O)\C=C\c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@@]1(C)[C@@]23OC4(C)C
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| InChI |
InChI=1S/C33H36O8/c1-20(34)37-23-18-19-31(4)33-27(40-31)25(30(2,3)41-33)26(38-24(35)17-16-21-12-8-6-9-13-21)28(32(23,33)5)39-29(36)22-14-10-7-11-15-22/h6-17,23,25-28H,18-19H2,1-5H3/b17-16+/t23-,25+,26-,27+,28-,31-,32-,33-/m0/s1
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| InChIKey |
GMJSISPYRQRTPK-ZGIPRAPUSA-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