General Information of the Compound
| Compound ID |
CP0111404
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| Compound Name |
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C16H20O4
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| Molecular Weight |
276.332
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\CC1=C(O)C(=O)C=C(O)C1=O
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| InChI |
InChI=1S/C16H20O4/c1-10(2)5-4-6-11(3)7-8-12-15(19)13(17)9-14(18)16(12)20/h5,7,9,17,20H,4,6,8H2,1-3H3/b11-7+
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| InChIKey |
WLGCIQYXKPKVKY-YRNVUSSQSA-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