Brief Information of the Compound and Protein
Compound Name
[(1S,2R,3R,4S,5R,6S,7S,9R,12R)-4,5,7,12-tetraacetyloxy-3-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate
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Canonical SMILES
C[C@@H]1[C@@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
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Compound Formula C25H34O13
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 = 390 nM
   TI
   LI
   LO
   TS
2
IC50 = 550 nM
   TI
   LI
   LO
   TS