General Information of the Compound
| Compound ID |
CP0478456
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| Compound Name |
(1E,6E)-1,7-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C31H36O6
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| Molecular Weight |
504.623
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| Canonical SMILES |
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OCC=C(C)C)c(OC)c2)ccc1OCC=C(C)C
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| InChI |
InChI=1S/C31H36O6/c1-22(2)15-17-36-28-13-9-24(19-30(28)34-5)7-11-26(32)21-27(33)12-8-25-10-14-29(31(20-25)35-6)37-18-16-23(3)4/h7-16,19-20H,17-18,21H2,1-6H3/b11-7+,12-8+
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| InChIKey |
MAEMKXZOQHJAPG-MKICQXMISA-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