General Information of the Compound
| Compound ID |
CP0481412
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| Compound Name |
3-[(3R,4R)-5-hydroxy-4-(hydroxymethyl)-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-3-yl]propanoic acid
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| Structure |
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| Formula |
C24H38O5
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| Molecular Weight |
406.563
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)c2[C@H](CO)[C@@H](CCC(O)=O)C(C)(C)Oc2c1
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| InChI |
InChI=1S/C24H38O5/c1-6-7-8-9-12-23(2,3)16-13-19(26)22-17(15-25)18(10-11-21(27)28)24(4,5)29-20(22)14-16/h13-14,17-18,25-26H,6-12,15H2,1-5H3,(H,27,28)/t17-,18-/m1/s1
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| InChIKey |
HJMNQQXEECLHNG-QZTJIDSGSA-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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2