General Information of the Compound
| Compound ID |
CP0903491
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| Compound Name |
Furan-3-carboxylic acid(1S,2R,3R,4R,5R,6R,7S,9R)-3,4-diacetoxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-5-ylester
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| Structure |
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| Formula |
C31H36O10
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| Molecular Weight |
568.619
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| Canonical SMILES |
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3
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| InChI |
InChI=1S/C31H36O10/c1-17-24(37-18(2)32)25(38-19(3)33)26(40-28(35)21-12-13-36-16-21)30(6)23(39-27(34)20-10-8-7-9-11-20)14-22-15-31(17,30)41-29(22,4)5/h7-13,16-17,22-26H,14-15H2,1-6H3/t17-,22-,23+,24-,25-,26+,30-,31+/m1/s1
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| InChIKey |
IXQAMDNZYHTXQB-PEXYCDPUSA-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