General Information of the Compound
| Compound ID |
CP0458864
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| Compound Name |
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)propanoate
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| Structure |
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| Formula |
C38H42O9
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| Molecular Weight |
642.745
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| Canonical SMILES |
COc1cc(ccc1O)C(C)C(=O)OCC1=C[C@H]2[C@H]3O[C@]4(Cc5ccccc5)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C
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| InChI |
InChI=1S/C38H42O9/c1-21(2)36-17-23(4)38-28(33(36)45-37(46-36,47-38)19-25-10-8-7-9-11-25)15-26(18-35(42)31(38)14-22(3)32(35)40)20-44-34(41)24(5)27-12-13-29(39)30(16-27)43-6/h7-16,23-24,28,31,33,39,42H,1,17-20H2,2-6H3/t23-,24?,28+,31-,33-,35-,36-,37-,38-/m1/s1
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| InChIKey |
QKSRTJSCISHWOH-YTUQFEGYSA-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