General Information of the Compound
| Compound ID |
CP0485137
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3,5-dihydroxy-2-(3-(4-hydroxyphenyl)propyl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H26O9
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| Molecular Weight |
422.43
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2CCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H26O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-16-9-13(24)8-15(25)14(16)3-1-2-11-4-6-12(23)7-5-11/h4-9,17-28H,1-3,10H2/t17-,18-,19+,20-,21-/m1/s1
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| InChIKey |
XVEIZRPEUQSVDV-YMQHIKHWSA-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