General Information of the Compound
| Compound ID |
CP0915349
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| Compound Name |
Furan-3-carboxylic acid(1R,2S,4R,5R,6R,7S,9R)-4-acetoxy-2-hydroxy-2,6,10,10-tetramethyl-7-(3-phenyl-acryloyloxy)-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-5-ylester
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| Structure |
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| Formula |
C31H36O9
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| Molecular Weight |
552.62
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| Canonical SMILES |
CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3
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| InChI |
InChI=1S/C31H36O9/c1-19(32)37-23-17-29(4,35)31-16-22(28(2,3)40-31)15-24(38-25(33)12-11-20-9-7-6-8-10-20)30(31,5)26(23)39-27(34)21-13-14-36-18-21/h6-14,18,22-24,26,35H,15-17H2,1-5H3/b12-11+/t22-,23-,24+,26+,29+,30-,31+/m1/s1
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| InChIKey |
JBCGOQGAFRZPEK-NTFYZVRUSA-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