Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,4R,6S,6aR,9R,11bS)-methyl 1,6-dihydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
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 PubChem ID
CID: 51361440
Canonical SMILES
COC(=O)[C@]1(C)CC[C@H](O)[C@@]2(C)C3CC[C@@H]4C[C@@]3([C@@H](O)CC12)C(=O)C4=C
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Compound Formula C21H30O5
Compound Structure
Protein Name
 Protein Info 
Isocitrate dehydrogenase [NADP] cytoplasmic
Protein Classification
Enzyme
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Oxidoreductase
Uniprot ID
O75874
Gene Name
IDH1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 2310.9 nM
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