General Information of the Compound
| Compound ID |
CP0559876
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| Compound Name |
(E)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C25H30O7
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| Molecular Weight |
442.508
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| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1CC=C(C)C
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| InChI |
InChI=1S/C25H30O7/c1-15(2)8-10-17-19(28-3)14-20(29-4)23(24(17)27)18(26)11-9-16-12-21(30-5)25(32-7)22(13-16)31-6/h8-9,11-14,27H,10H2,1-7H3/b11-9+
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| InChIKey |
WPYKEEIZSXOWNW-PKNBQFBNSA-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