General Information of the Compound
| Compound ID |
CP0558977
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| Compound Name |
[(1S,2R,4S,5R,6S,7R,8S,9R,12R)-5,8-diacetyloxy-4-hydroxy-2,6,10,10-tetramethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Formula |
C35H40O10
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| Molecular Weight |
620.695
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| Canonical SMILES |
C[C@@H]1C[C@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)\C=C\c4ccccc4)[C@]12OC3(C)C
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| InChI |
InChI=1S/C35H40O10/c1-20-19-25(38)29(42-22(3)37)34(6)31(44-32(40)24-15-11-8-12-16-24)28(41-21(2)36)27-30(35(20,34)45-33(27,4)5)43-26(39)18-17-23-13-9-7-10-14-23/h7-18,20,25,27-31,38H,19H2,1-6H3/b18-17+/t20-,25+,27-,28+,29+,30-,31+,34+,35-/m1/s1
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| InChIKey |
KPKOHRWPECEWRN-IATFNYHPSA-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