General Information of the Compound
| Compound ID |
CP0283329
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| Compound Name |
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C17H22O4
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| Molecular Weight |
290.359
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| Canonical SMILES |
COC1=CC(=O)C(O)=C(C\C=C(/C)CCC=C(C)C)C1=O
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| InChI |
InChI=1S/C17H22O4/c1-11(2)6-5-7-12(3)8-9-13-16(19)14(18)10-15(21-4)17(13)20/h6,8,10,19H,5,7,9H2,1-4H3/b12-8+
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| InChIKey |
MDUHETMFMHWBIR-XYOKQWHBSA-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