General Information of the Compound
| Compound ID |
CP0486396
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| Compound Name |
3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-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 |
C26H32O10
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| Molecular Weight |
504.532
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| Canonical SMILES |
CC(C)c1cc(O)c(C(=O)CCc2ccc3OCCOc3c2)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/C26H32O10/c1-13(2)15-10-17(29)22(16(28)5-3-14-4-6-18-19(9-14)34-8-7-33-18)20(11-15)35-26-25(32)24(31)23(30)21(12-27)36-26/h4,6,9-11,13,21,23-27,29-32H,3,5,7-8,12H2,1-2H3/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
WWAWOJKRCWOKJV-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