Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,3R,4S,7R,12S,13S,18R,20S,21R)-21-(2-hydroxypropan-2-yl)-3,4,8,8,12,18-hexamethyl-22,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricosa-14,16-dien-9-one
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 PubChem ID
CID: 155512376
Canonical SMILES
C[C@@H]1C[C@@H]2O[C@@]3(C[C@@]4(C)C(C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]45C)=C13)O[C@H]2C(C)(C)O
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Compound Formula C30H44O4
Compound Structure
Protein Name
 Protein Info 
Bile acid receptor
Protein Classification
Transcription factor
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Nuclear receptor
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Nuclear hormone receptor subfamily 1
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Nuclear hormone receptor subfamily 1 group H
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Nuclear hormone receptor subfamily 1 group H member 4
Uniprot ID
Q96RI1
Gene Name
NR1H4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3340 nM
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