General Information of the Compound
| Compound ID |
CP0389940
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| Compound Name |
[(1S,2S,4S,5R,6R,7S,9R,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-12-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
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| Structure |
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| Formula |
C31H36O14
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| Molecular Weight |
632.615
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| Canonical SMILES |
CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1
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| InChI |
InChI=1S/C31H36O14/c1-16(32)40-15-30-23(43-26(35)19-7-9-38-13-19)11-21-24(44-27(36)20-8-10-39-14-20)31(30,45-28(21,4)5)29(6,37)12-22(41-17(2)33)25(30)42-18(3)34/h7-10,13-14,21-25,37H,11-12,15H2,1-6H3/t21-,22+,23+,24-,25+,29+,30-,31+/m1/s1
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| InChIKey |
FBFCHVYQDYUGKU-NNTMNUMBSA-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