Brief Information of the Compound and Protein
Compound Name
[(2S,4aR,6aR,7R,10aR,10bR)-7-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromen-9-yl] 3-fluorobenzoate
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Canonical SMILES
CC(=O)O[C@@H]1C=C(OC(=O)c2cccc(F)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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Compound Formula C28H27FO8
Compound Structure
Protein Name
Mu-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P35372
Gene Name
OPRM1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 4.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 41 nM
   TI
   LI
   LO
   TS