General Information of the Compound
| Compound ID |
CP0417034
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| Compound Name |
3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
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| Structure |
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| Formula |
C16H16O5
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| Molecular Weight |
288.299
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| Canonical SMILES |
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
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| InChI |
InChI=1S/C16H16O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3
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| InChIKey |
YQNPVOBVGNGYHD-UHFFFAOYSA-N
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| CAS |
76172-68-4
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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