Brief Information of the Compound and Protein
Compound Name
[(6aR,10aR)-9-hydroperoxy-6,6,9-trimethyl-3-pentyl-10,10a-dihydro-6aH-benzo[c]chromen-1-yl] 4-methylbenzenesulfonate
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PubChem ID
CID: 145987144
Canonical SMILES
CCCCCc1cc(OS(=O)(=O)c2ccc(C)cc2)c2[C@@H]3CC(C)(OO)C=C[C@H]3C(C)(C)Oc2c1
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Compound Formula C28H36O6S
Compound Structure
Protein Name
Cannabinoid receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Lipid-like ligand receptor (family A GPCR)
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Cannabinoid receptor
Uniprot ID
P21554
Gene Name
CNR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  4
1
IC50 = 97 nM
   TI
   LI
   LO
   TS
2
IC50 = 275 nM
   TI
   LI
   LO
   TS
3
Ki = 48 nM
   TI
   LI
   LO
   TS
4
Ki = 137 nM
   TI
   LI
   LO
   TS