General Information of the Compound
| Compound ID |
CP0420102
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| Compound Name |
3-Cyclohexyl-1-[2-hydroxy-4-methyl-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-propan-1-one
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| Structure |
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| Formula |
C22H32O8
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| Molecular Weight |
424.49
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| Canonical SMILES |
Cc1cc(O)c(C(=O)CCC2CCCCC2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
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| InChI |
InChI=1S/C22H32O8/c1-12-9-15(25)18(14(24)8-7-13-5-3-2-4-6-13)16(10-12)29-22-21(28)20(27)19(26)17(11-23)30-22/h9-10,13,17,19-23,25-28H,2-8,11H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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| InChIKey |
CUYNNVPLKSGDSU-MIUGBVLSSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2