General Information of the Compound
| Compound ID |
CP0496909
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| Compound Name |
3-(4-Ethoxy-phenyl)-1-[2-hydroxy-4-isopropyl-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 |
C26H34O9
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| Molecular Weight |
490.549
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| Canonical SMILES |
CCOc1ccc(CCC(=O)c2c(O)cc(cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)cc1
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| InChI |
InChI=1S/C26H34O9/c1-4-33-17-8-5-15(6-9-17)7-10-18(28)22-19(29)11-16(14(2)3)12-20(22)34-26-25(32)24(31)23(30)21(13-27)35-26/h5-6,8-9,11-12,14,21,23-27,29-32H,4,7,10,13H2,1-3H3/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
FMFDIEUZQZXVQG-XDXGNBCUSA-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