General Information of the Compound
| Compound ID |
CP0403819
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| Compound Name |
[(1S,2S,5S,6S,7R,8S,9R,12R)-5-acetyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-[(E)-3-phenylprop-2-enoyl]oxy-12-propanoyloxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Structure |
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| Formula |
C36H42O10
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| Molecular Weight |
634.722
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| Canonical SMILES |
CCC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)\C=C\c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@](C)(O)[C@@]13OC2(C)C)OC(C)=O
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| InChI |
InChI=1S/C36H42O10/c1-7-26(38)44-30-28-29(43-27(39)19-18-23-14-10-8-11-15-23)31(45-32(40)24-16-12-9-13-17-24)35(6)25(42-22(2)37)20-21-34(5,41)36(30,35)46-33(28,3)4/h8-19,25,28-31,41H,7,20-21H2,1-6H3/b19-18+/t25-,28+,29-,30+,31-,34-,35-,36-/m0/s1
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| InChIKey |
UZAJTDNSSDOGDB-WDXZRLHGSA-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