General Information of the Compound
| Compound ID |
CP0541343
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| Compound Name |
1-[3-[1-(3-acetyl-2,4,6-trihydroxyphenyl)-3-methylbutyl]-2,4,6-trihydroxyphenyl]ethanone
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| Structure |
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| Formula |
C21H24O8
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| Molecular Weight |
404.415
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| Canonical SMILES |
CC(C)CC(c1c(O)cc(O)c(C(C)=O)c1O)c1c(O)cc(O)c(C(C)=O)c1O
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| InChI |
InChI=1S/C21H24O8/c1-8(2)5-11(18-14(26)6-12(24)16(9(3)22)20(18)28)19-15(27)7-13(25)17(10(4)23)21(19)29/h6-8,11,24-29H,5H2,1-4H3
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| InChIKey |
HZMXQOXHONSCSV-UHFFFAOYSA-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