General Information of the Compound
| Compound ID |
CP0435498
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| Compound Name |
(2E,6E)-9-[(2R)-2,8-dimethyl-6-propoxy-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid
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| Structure |
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| Formula |
C25H36O4
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| Molecular Weight |
400.559
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| Canonical SMILES |
CCCOc1cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc2c1
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| InChI |
InChI=1S/C25H36O4/c1-6-15-28-22-16-20(4)23-21(17-22)12-14-25(5,29-23)13-8-10-18(2)9-7-11-19(3)24(26)27/h10-11,16-17H,6-9,12-15H2,1-5H3,(H,26,27)/b18-10+,19-11+/t25-/m1/s1
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| InChIKey |
JXYNJRKTLXPWRO-CVZCJSSSSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma