Molecule

5,6-Dihydro-2(1H)-pyridinone; N-(3-Phenylpropanoyl)

AlkaPlorer ID: AK036455

Synonym: 5,6-Dihydro-1-(3-phenylpropanoyl)-2(1H)-pyridinone, Piperchabamide A

IUPAC Name: 1-(3-phenylpropanoyl)-2,3-dihydropyridin-6-one

SMILES: O=C1C=CCCN1C(=O)CCC1=CC=CC=C1

InChI: InChI=1S/C14H15NO2/c16-13-8-4-5-11-15(13)14(17)10-9-12-6-2-1-3-7-12/h1-4,6-8H,5,9-11H2

InChIKey: GUEXEBNXDLFLBU-UHFFFAOYSA-N

PubChem CID: 44453778

CAS: 807618-20-8

LOTUS: LTS0212222

SuperNatural Ⅲ: SN0115459

NPASS: NPC256452

COCONUT: CNP0152933

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 229.279

TPSA？: 37.38

MolLogP？: 1.9343

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	3T3-L1	Activity	-5.0	%	10.1016/j.bmcl.2008.04.052
Mus musculus	3T3-L1	Activity	8.9	%	10.1016/j.bmcl.2008.04.052
Mus musculus	3T3-L1	Activity	10.2	%	10.1016/j.bmcl.2008.04.052
Mus musculus	3T3-L1	Activity	14.0	%	10.1016/j.bmcl.2008.04.052
Mus musculus	Hepatocyte	IC50	14000.0	nM	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	29.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	29.0	%	10.1016/j.bmcl.2008.01.101
Mus musculus	Hepatocyte	Inhibition	32.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	32.0	%	10.1016/j.bmcl.2008.01.101
Mus musculus	Hepatocyte	Inhibition	70.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	70.0	%	10.1016/j.bmcl.2008.01.101
Mus musculus	L929	IC50	13000.0	nM	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	23.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	35.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	71.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	90.0	%	10.1016/j.bmc.2009.08.050
None	ADMET	Inhibition	nan	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	IC50	20000.0	nM	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	3.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	27.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	98.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	100.0	%	10.1016/j.bmc.2009.08.050