Piplartine

Representations & DB's id
ChEBI:	CHEBI:8241
ChEMBL:	CHEMBL465843
PubChem:	637858
IUPAC:	1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Standard InChI:	InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
Standard InChI Key:	VABYUUZNAVQNPG-BQYQJAHWSA-N
SMILES:	COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(c1OC)OC

Molecular propeties
AlogP:	2.04
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	0
Rotatable bonds:	5
Number of rings:	2
Molecular Weight:	317.13
Topological polar surface area:	65.1
Number of aromatic rings:	1
Fsp3:	0.294
Number of carbons:	17

Plant sources

Part of plant	Plant name	Ref.
Plant	Gymnadenia conopsea
Plant	Gymnadenia conopsea

Activity Type	Activity Value	Target Name	UniProt ID
Potency	19952.6 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	6309.6 nM	Ras-related protein Rab-9A	P51151
Potency	35481.3 nM	Survival motor neuron protein	Q16637
Potency	8912.5 nM	Microtubule-associated protein tau	P10636
Potency	10000 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	10000 nM	Microtubule-associated protein tau	P10636
Potency	25118.9 nM	MAP kinase ERK2	P28482
Potency	6309.6 nM	Niemann-Pick C1 protein	O15118
Potency	25118.9 nM	Cellular tumor antigen p53	P04637
Potency	3162.3 nM	Cellular tumor antigen p53	P04637
Potency	50.1 nM	Cytochrome P450 3A4	P08684
Potency	50.1 nM	Cytochrome P450 3A4	P08684
AC50	7403 nM	Microphthalmia-associated transcription factor	O75030
Potency	29092.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	2310 nM	ATPase family AAA domain-containing protein 5	Q96QE3
AC50	7403 nM	Microphthalmia-associated transcription factor	O75030
Potency	15848.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
AC50	7403 nM	Microphthalmia-associated transcription factor	O75030
Potency	8199.5 nM	Geminin	O75496
Potency	2238.7 nM	Geminin	O75496
Potency	10000 nM	Ataxin-2	Q99700
Potency	28183.8 nM	Glucagon-like peptide 1 receptor	P43220
Potency	2511.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236