General Information of the Compound
| Compound ID |
CP0541344
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| Compound Name |
1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
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| Structure |
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| Formula |
C13H16O4
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| Molecular Weight |
236.267
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| Canonical SMILES |
CC(C)=CCc1c(O)cc(O)c(C(C)=O)c1O
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| InChI |
InChI=1S/C13H16O4/c1-7(2)4-5-9-10(15)6-11(16)12(8(3)14)13(9)17/h4,6,15-17H,5H2,1-3H3
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| InChIKey |
VSODLHSFRVYYBZ-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