General Information of the Compound
| Compound ID |
CP0429081
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| Compound Name |
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
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| Structure |
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| Formula |
C20H18O9
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| Molecular Weight |
402.355
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| Canonical SMILES |
O[C@H]1CO[C@H]([C@H](O)[C@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
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| InChI |
InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)14-6-12(24)15-10(22)5-11(23)16(19(15)29-14)20-18(27)17(26)13(25)7-28-20/h1-6,13,17-18,20-23,25-27H,7H2/t13-,17-,18+,20-/m0/s1
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| InChIKey |
YCCJEBDPVUMZGE-NTCOEUGSSA-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