General Information of the Compound
| Compound ID |
CP0481481
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C30H30O10
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| Molecular Weight |
550.56
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)O[C@@H]2[C@H](Oc3cc(OC)cc(OC)c3C2=O)c2cc(OC)c(OC)c(OC)c2)cc1
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| InChI |
InChI=1S/C30H30O10/c1-33-19-10-7-17(8-11-19)9-12-25(31)40-30-27(32)26-21(35-3)15-20(34-2)16-22(26)39-28(30)18-13-23(36-4)29(38-6)24(14-18)37-5/h7-16,28,30H,1-6H3/b12-9+/t28-,30+/m1/s1
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| InChIKey |
NXJOBOQNIOYQFI-AKMNDLLVSA-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