General Information of the Compound
Compound ID |
CP0875293
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Compound Name |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-isobutyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
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Structure |
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Formula |
C24H26O10
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Molecular Weight |
474.462
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Canonical SMILES |
CC(C)C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O
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InChI |
InChI=1S/C24H26O10/c1-10(2)7-16-18(28)20(30)21(31)24(33-16)34-23-19(29)17-14(27)8-13(26)9-15(17)32-22(23)11-3-5-12(25)6-4-11/h3-6,8-10,16,18,20-21,24-28,30-31H,7H2,1-2H3/t16-,18-,20+,21+,24-/m0/s1
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InChIKey |
XDTPAAMXVSEUMQ-IMLMFSNGSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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