PIPERINE

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Synonyms
Status
Molecule Category Free-form
UNII U71XL721QK
EPA CompTox DTXSID3021805

Structure

InChI Key MXXWOMGUGJBKIW-YPCIICBESA-N
Smiles O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChI
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO3
Molecular Weight 285.34
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 38.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A1
- - - - 42
Enzyme Hydrolase
- - - - -0.1-16.77
Enzyme Oxidoreductase
- 260-483 - - 11-47.45
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 97.82-186.17
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 97.82-186.17
Electrophorus electricus
- - - -
Equus caballus
- - - - 16.77
Homo sapiens
- 950-990 - - 42-90.2
Mus musculus
- - - - -9-96.1
Rattus norvegicus
- 260-404 - - 27-57
Trypanosoma cruzi
- - - - 11

Cross References

Resources Reference
ChEBI 28821
ChEMBL CHEMBL43185
DrugBank DB12582
FDA SRS U71XL721QK
Human Metabolome Database HMDB0029377
Guide to Pharmacology 2489
KEGG C03882
PDB AYR
SureChEMBL SCHEMBL94058
ZINC ZINC000001529772
CONTENTS