General Information of the Compound
| Compound ID |
CP0049666
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| Compound Name |
(E)-3-(3'',4''-Dihydroxyphenyl)-1-(3',4',5'-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H18O6
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| Molecular Weight |
330.336
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C18H18O6/c1-22-16-9-12(10-17(23-2)18(16)24-3)13(19)6-4-11-5-7-14(20)15(21)8-11/h4-10,20-21H,1-3H3/b6-4+
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| InChIKey |
YRADLNGHQMLFDH-GQCTYLIASA-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