General Information of the Compound
| Compound ID |
CP0504778
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 2-(3,4,5-trimethoxyphenyl)acetate
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| Structure |
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| Formula |
C31H36O11
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| Molecular Weight |
584.618
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| Canonical SMILES |
COc1cc(OC)c2C[C@@H](OC(=O)Cc3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C31H36O11/c1-33-19-14-21(34-2)20-16-27(41-28(32)11-17-9-23(35-3)30(39-7)24(10-17)36-4)29(42-22(20)15-19)18-12-25(37-5)31(40-8)26(13-18)38-6/h9-10,12-15,27,29H,11,16H2,1-8H3/t27-,29-/m1/s1
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| InChIKey |
ROHMUMVTRZETHY-XRKRLSELSA-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