Brief Information of the Compound and Protein
Compound Name
ISOPIMPINELLIN
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PubChem ID
CID: 68079
SID: 15122074
Canonical SMILES
COc1c2ccoc2c(OC)c2oc(=O)ccc12
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Compound Formula C13H10O5
Compound Structure
Protein Name
Cytochrome P450 1A1
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 1
>
Cytochrome P450 family 1A
>
Cytochrome P450 1A1
Uniprot ID
P04798
Gene Name
CYP1A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 13800 nM
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
   TI
   LI
   LO
   TS
3
Ki = 12 nM
   TI
   LI
   LO
   TS