General Information of the Compound
| Compound ID |
CP0415933
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| Compound Name |
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxy-5-pentylcyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C21H30O3
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| Molecular Weight |
330.468
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| Canonical SMILES |
CCCCCC1=CC(=O)C(C\C=C(/C)CCC=C(C)C)=C(O)C1=O
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| InChI |
InChI=1S/C21H30O3/c1-5-6-7-11-17-14-19(22)18(21(24)20(17)23)13-12-16(4)10-8-9-15(2)3/h9,12,14,24H,5-8,10-11,13H2,1-4H3/b16-12+
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| InChIKey |
WQJZGZRGXVDCJN-FOWTUZBSSA-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