General Information of the Compound
| Compound ID |
CP0520461
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| Compound Name |
[(1S,2S,5S,6S,7R,8S,9R,12R)-5-acetyloxy-12-butanoyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Structure |
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| Formula |
C37H44O10
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| Molecular Weight |
648.749
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| Canonical SMILES |
CCCC(=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/C37H44O10/c1-7-14-27(39)45-31-29-30(44-28(40)20-19-24-15-10-8-11-16-24)32(46-33(41)25-17-12-9-13-18-25)36(6)26(43-23(2)38)21-22-35(5,42)37(31,36)47-34(29,3)4/h8-13,15-20,26,29-32,42H,7,14,21-22H2,1-6H3/b20-19+/t26-,29+,30-,31+,32-,35-,36-,37-/m0/s1
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| InChIKey |
FFDNJNBAQAJOKU-GZNIRRJRSA-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