General Information of the Compound
| Compound ID |
CP0463900
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| Compound Name |
3-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
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| Structure |
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| Formula |
C14H20O4
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| Molecular Weight |
252.31
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| Canonical SMILES |
COc1cc(OC)c(C(=O)CC(C)C)c(OC)c1
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| InChI |
InChI=1S/C14H20O4/c1-9(2)6-11(15)14-12(17-4)7-10(16-3)8-13(14)18-5/h7-9H,6H2,1-5H3
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| InChIKey |
RHLPCBONDWAJLA-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