General Information of the Compound
| Compound ID |
CP0388808
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| Compound Name |
(1E,6E)-1,7-bis[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]-4,4-bis[(2E)-3,7-dimethylocta-2,6-dienyl]hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C61H84O6
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| Molecular Weight |
913.337
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| Canonical SMILES |
COc1cc(\C=C\C(=O)C(C\C=C(/C)CCC=C(C)C)(C\C=C(/C)CCC=C(C)C)C(=O)\C=C\c2ccc(OC\C=C(/C)CCC=C(C)C)c(OC)c2)ccc1OC\C=C(/C)CCC=C(C)C
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| InChI |
InChI=1S/C61H84O6/c1-45(2)19-15-23-49(9)35-39-61(40-36-50(10)24-16-20-46(3)4,59(62)33-29-53-27-31-55(57(43-53)64-13)66-41-37-51(11)25-17-21-47(5)6)60(63)34-30-54-28-32-56(58(44-54)65-14)67-42-38-52(12)26-18-22-48(7)8/h19-22,27-38,43-44H,15-18,23-26,39-42H2,1-14H3/b33-29+,34-30+,49-35+,50-36+,51-37+,52-38+
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| InChIKey |
PIEACPSHPUMAIE-FKTZWMEISA-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