Molecule

Sid14737105

AlkaPlorer ID: AK068133

Synonym: None

IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ylpropan-1-one

Structure

SMILES: O=C(CCN1CCCCC1)C1=CC=C2OCOC2=C1

InChI: InChI=1S/C15H19NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10H,1-3,6-9,11H2

InChIKey: DJXZMJWCDITTEO-UHFFFAOYSA-N

Reference

Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson’s disease

PubChem CID: 147354

CAS: 30418-51-0

LOTUS: LTS0085817

NPASS: NPC469978

COCONUT: CNP0079560

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Piper nigrum	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 261.321

TPSA？: 38.77

MolLogP？: 2.474

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	-1.3	%	10.6019/CHEMBL4513160
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	56234.1	nM	None
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	35481.3	nM	None
Homo sapiens	78 kDa glucose-regulated protein	Potency	44668.4	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	25.1	nM	None
Homo sapiens	Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein	EC50	53000.0	nM	None
Homo sapiens	Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein	IC50	47100.0	nM	None
Homo sapiens	Geminin	Potency	31622.8	nM	None
Homo sapiens	Glycoprotein hormones alpha chain	Potency	5623.4	nM	None
Homo sapiens	HepG2	Potency	17782.8	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	7943.3	nM	None
Homo sapiens	Monoamine oxidase A	IC50	100000.0	nM	10.1016/j.bmcl.2012.09.056
Homo sapiens	Monoamine oxidase B	IC50	3430.0	nM	10.1016/j.bmcl.2012.09.056
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	11220.2	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	25118.9	nM	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	44668.4	nM	None
Homo sapiens	Serine/threonine-protein kinase PLK1	Potency	21192.3	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	7307.8	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	10322.5	nM	None
Homo sapiens	Vitamin D receptor	Potency	44668.4	nM	None
Homo sapiens	Werner syndrome ATP-dependent helicase	Potency	50118.7	nM	None
Human immunodeficiency virus 1	Aberrant vpr protein	Potency	7943.3	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	3162.3	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	12589.3	nM	None
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	2.18	%	10.6019/CHEMBL4513160
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	26.26	%	10.6019/CHEMBL4513160
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	316.2	nM	None
Schistosoma mansoni	Thioredoxin glutathione reductase	Potency	281.8	nM	None
None	Unchecked	IC50	501187.23	nM	10.6019/CHEMBL3988442
None	Unchecked	Percent Effect	2.925	%	10.6019/CHEMBL3988442
None	Unchecked	Percent Effect	28.48	%	10.6019/CHEMBL3988442
None	Unchecked	Percent Effect	69.26	%	10.6019/CHEMBL3988442
None	Unchecked	Potency	11582.1	nM	None