General Information of the Compound
| Compound ID |
CP0213050
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| Compound Name |
4,5-dimethoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-3,5-diene-1,2-dione
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| Structure |
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| Formula |
C23H32O4
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| Molecular Weight |
372.505
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| Canonical SMILES |
COC1=CC(=O)C(=O)C(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1OC
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| InChI |
InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)20(24)15-21(26-5)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
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| InChIKey |
FCOJGSRVKDNHCF-OUBUNXTGSA-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
Protein ID: PT05648, Macrophage-expressed gene 1 protein
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase