General Information of the Compound
| Compound ID |
CP0305304
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| Compound Name |
1-(2-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
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| Structure |
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| Formula |
C20H22O9
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| Molecular Weight |
406.387
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C20H22O9/c21-9-16-18(26)19(27)20(29-16)28-15-8-12(23)7-14(25)17(15)13(24)6-3-10-1-4-11(22)5-2-10/h1-2,4-5,7-8,16,18-23,25-27H,3,6,9H2/t16-,18-,19-,20-/m1/s1
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| InChIKey |
ONBQEOIKXPHGMB-VBSBHUPXSA-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