General Information of the Compound
| Compound ID |
CP0464991
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-(pent-2-enyloxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H30O6
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| Molecular Weight |
414.498
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| Canonical SMILES |
CC\C=C\COc1ccc(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H30O6/c1-2-3-4-12-29-19-10-8-16(9-11-19)13-17-6-5-7-18(14-17)24-23(28)22(27)21(26)20(15-25)30-24/h3-11,14,20-28H,2,12-13,15H2,1H3/b4-3+/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
PYAANSFDGRQQCG-NFQFPNEVSA-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