General Information of the Compound
| Compound ID |
CP0518099
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| Compound Name |
(1E,6E)-1,7-bis(2,3-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C23H24O6
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| Molecular Weight |
396.439
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(OC)c2OC)c1OC
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| InChI |
InChI=1S/C23H24O6/c1-26-20-9-5-7-16(22(20)28-3)11-13-18(24)15-19(25)14-12-17-8-6-10-21(27-2)23(17)29-4/h5-14H,15H2,1-4H3/b13-11+,14-12+
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| InChIKey |
PSEHYMJUMRDFBD-PHEQNACWSA-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