General Information of the Compound
| Compound ID |
CP0406735
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| Compound Name |
(1E,6E)-1,7-bis[3-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]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)CC(=O)\C=C\c2ccc(OC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(OC)c2)ccc1OC\C=C(/C)CC\C=C(/C)CCC=C(C)C
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| InChI |
InChI=1S/C51H68O6/c1-38(2)15-11-17-40(5)19-13-21-42(7)31-33-56-48-29-25-44(35-50(48)54-9)23-27-46(52)37-47(53)28-24-45-26-30-49(51(36-45)55-10)57-34-32-43(8)22-14-20-41(6)18-12-16-39(3)4/h15-16,19-20,23-32,35-36H,11-14,17-18,21-22,33-34,37H2,1-10H3/b27-23+,28-24+,40-19+,41-20+,42-31+,43-32+
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| InChIKey |
YQKMWYCOIVVCAP-FYBVFOBSSA-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