Brief Information of the Compound and Protein
Compound Name
[(1S,2R,4R,5R,6S,7R,8R,9R,12R)-4,5,12-triacetyloxy-8-hexanoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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Canonical SMILES
CCCCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1
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Compound Formula C34H46O11
Compound Structure
Protein Name
ATP-dependent translocase ABCB1
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCB subfamily
Uniprot ID
P08183
Gene Name
ABCB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000838 MDR-KB-VCR Homo sapiens (Human)  2
1
IC50 = 21 nM
   TI
   LI
   LO
   TS
2
IC50 = 350 nM
   TI
   LI
   LO
   TS