Brief Information of the Compound and Protein
Compound Name
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
    Show/Hide
PubChem ID
CID: 66573231
SID: 152231053
Canonical SMILES
COc1ccc(\C=C\C(=O)O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]5(C)[C@@](O)(CC[C@]5(O)[C@]4(O)CC=C3C2)C(C)=O)cc1
    Show/Hide
Compound Formula C38H50O9
Compound Structure
Protein Name
Toll-like receptor 4
Protein Classification
Membrane receptor
>
Toll-like and Il-1 receptors
Uniprot ID
O00206
Gene Name
TLR4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000192 AD-293 Homo sapiens (Human)  1
1
EC50 = 3950 nM
   TI
   LI
   LO
   TS