General Information of the Compound
| Compound ID |
CP0394718
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| Compound Name |
1,3-dihydroxypropan-2-yl 8-(3-hydroxy-5-pentylphenoxy)octanoate
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| Structure |
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| Formula |
C22H36O6
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| Molecular Weight |
396.524
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| Canonical SMILES |
CCCCCc1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1
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| InChI |
InChI=1S/C22H36O6/c1-2-3-7-10-18-13-19(25)15-20(14-18)27-12-9-6-4-5-8-11-22(26)28-21(16-23)17-24/h13-15,21,23-25H,2-12,16-17H2,1H3
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| InChIKey |
NFGYARFBOHIJLZ-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2