General Information of the Compound
| Compound ID |
CP0558431
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| Compound Name |
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-methylbutan-1-one
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| Structure |
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| Formula |
C13H18O4
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| Molecular Weight |
238.283
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| Canonical SMILES |
COc1cc(O)c(C(=O)CC(C)C)c(OC)c1
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| InChI |
InChI=1S/C13H18O4/c1-8(2)5-10(14)13-11(15)6-9(16-3)7-12(13)17-4/h6-8,15H,5H2,1-4H3
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| InChIKey |
ZJKLEVUMLVFQRG-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