General Information of the Compound
| Compound ID |
CP0449118
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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-(3,4-dimethoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C31H32O11
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| Molecular Weight |
580.586
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| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(=O)\C=C\c3ccc(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C31H32O11/c1-34-19-15-22(37-4)27-23(16-19)41-29(18-13-24(38-5)30(40-7)25(14-18)39-6)31(28(27)33)42-26(32)11-9-17-8-10-20(35-2)21(12-17)36-3/h8-16,29,31H,1-7H3/b11-9+/t29-,31+/m1/s1
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| InChIKey |
PMWJQAWAXJKNOD-VNKOPLACSA-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