General Information of the Compound
| Compound ID |
CP0379164
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| Compound Name |
3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-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 |
C24H28O10
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| Molecular Weight |
476.478
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| Canonical SMILES |
Cc1cc(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/C24H28O10/c1-12-8-15(27)20(14(26)4-2-13-3-5-16-17(10-13)32-7-6-31-16)18(9-12)33-24-23(30)22(29)21(28)19(11-25)34-24/h3,5,8-10,19,21-25,27-30H,2,4,6-7,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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| InChIKey |
IINBYKILNZBSAK-PFKOEMKTSA-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