General Information of the Compound
| Compound ID |
CP0444598
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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-(3,4,5-trimethoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C32H34O12
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| Molecular Weight |
610.612
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| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C32H34O12/c1-35-19-15-20(36-2)27-21(16-19)43-29(18-13-24(39-5)31(42-8)25(14-18)40-6)32(28(27)34)44-26(33)10-9-17-11-22(37-3)30(41-7)23(12-17)38-4/h9-16,29,32H,1-8H3/b10-9+/t29-,32+/m1/s1
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| InChIKey |
XEWUSMZNVDDSDW-BQGYHQMESA-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