General Information of the Compound
| Compound ID |
CP0478457
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| Compound Name |
(1E,6E)-1,7-bis[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]-4-[(2E)-3,7-dimethylocta-2,6-dienyl]hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C51H68O6
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| Molecular Weight |
777.099
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| Canonical SMILES |
COc1cc(\C=C\C(=O)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/C51H68O6/c1-37(2)15-12-18-40(7)21-26-45(46(52)27-22-43-24-29-48(50(35-43)54-10)56-33-31-41(8)19-13-16-38(3)4)47(53)28-23-44-25-30-49(51(36-44)55-11)57-34-32-42(9)20-14-17-39(5)6/h15-17,21-25,27-32,35-36,45H,12-14,18-20,26,33-34H2,1-11H3/b27-22+,28-23+,40-21+,41-31+,42-32+
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| InChIKey |
ZVHOQPYAJRXQOK-ACPQRTMYSA-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