General Information of the Compound
| Compound ID |
CP0226444
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| Compound Name |
2-hydroxy-5-methoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C22H30O4
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| Molecular Weight |
358.478
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| Canonical SMILES |
COC1=CC(=O)C(O)=C(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
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| InChI |
InChI=1S/C22H30O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-18-21(24)19(23)14-20(26-5)22(18)25/h8,10,12,14,24H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
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| InChIKey |
AUDYECRPXIOJSY-JTCWOHKRSA-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