Molecule

Piperchabamide E

AlkaPlorer ID: AK310497

Synonym: None

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylbutyl)penta-2,4-dienamide

SMILES: CCC(C)CNC(=O)/C=C/C=C/C1=CC=C2OCOC2=C1

InChI: InChI=1S/C17H21NO3/c1-3-13(2)11-18-17(19)7-5-4-6-14-8-9-15-16(10-14)21-12-20-15/h4-10,13H,3,11-12H2,1-2H3,(H,18,19)/b6-4+,7-5+

InChIKey: DDDBNNKSLDKJON-YDFGWWAZSA-N

PubChem CID: 46228144

CAS: 1019852-78-8

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: 287.35900000000004

TPSA？: 47.56

MolLogP？: 3.147000000000002

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Hepatocyte	IC50	4900.0	nM	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	34.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	34.0	%	10.1016/j.bmcl.2008.01.101
Mus musculus	Hepatocyte	Inhibition	71.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	71.0	%	10.1016/j.bmcl.2008.01.101
Mus musculus	Hepatocyte	Inhibition	98.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	Hepatocyte	Inhibition	98.0	%	10.1016/j.bmcl.2008.01.101
Mus musculus	L929	Inhibition	-4.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	-1.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	0.0	%	10.1016/j.bmc.2009.08.050
Mus musculus	L929	Inhibition	22.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	1.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	6.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	16.0	%	10.1016/j.bmc.2009.08.050
None	Peritoneal macrophage cell	Inhibition	46.0	%	10.1016/j.bmc.2009.08.050