General Information of the Compound
| Compound ID |
CP0447285
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| Compound Name |
3-(4-propoxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
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| Structure |
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| Formula |
C24H30O10
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| Molecular Weight |
478.494
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| Canonical SMILES |
CCCOc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc1
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| InChI |
InChI=1S/C24H30O10/c1-2-9-33-13-6-3-12(4-7-13)5-8-14(26)18-15(27)10-16(28)19(21(18)30)24-23(32)22(31)20(29)17(11-25)34-24/h3-4,6-7,10,17,20,22-25,27-32H,2,5,8-9,11H2,1H3/t17-,20-,22+,23-,24+/m1/s1
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| InChIKey |
URDMZBKELOFRSX-VYJJCVKJSA-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