General Information of the Compound
| Compound ID |
CP0485717
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| Compound Name |
3-(4-Ethoxy-phenyl)-1-[4-ethyl-2-hydroxy-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 |
C25H32O9
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| Molecular Weight |
476.522
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| Canonical SMILES |
CCOc1ccc(CCC(=O)c2c(O)cc(CC)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C25H32O9/c1-3-14-11-18(28)21(17(27)10-7-15-5-8-16(9-6-15)32-4-2)19(12-14)33-25-24(31)23(30)22(29)20(13-26)34-25/h5-6,8-9,11-12,20,22-26,28-31H,3-4,7,10,13H2,1-2H3/t20-,22-,23+,24-,25-/m1/s1
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| InChIKey |
ACMMSHORHBTOEZ-PRDVQWLOSA-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