General Information of the Compound
| Compound ID |
CP0509462
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-3-yl] acetate
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| Structure |
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| Formula |
C22H24O9
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| Molecular Weight |
432.425
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| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(C)=O)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C22H24O9/c1-11(23)30-22-19(24)18-14(26-3)9-13(25-2)10-15(18)31-20(22)12-7-16(27-4)21(29-6)17(8-12)28-5/h7-10,20,22H,1-6H3/t20-,22+/m1/s1
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| InChIKey |
XAGIAEOMIIISHO-IRLDBZIGSA-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