Pterostilbene

Representations & DB's id
ChEBI:	CHEBI:8630
ChEMBL:	CHEMBL83527
PubChem:	5281727
IUPAC:	4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Standard InChI:	InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
Standard InChI Key:	VLEUZFDZJKSGMX-ONEGZZNKSA-N
SMILES:	COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC

Molecular propeties
AlogP:	3.58
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	1
Rotatable bonds:	4
Number of rings:	2
Molecular Weight:	256.11
Topological polar surface area:	38.7
Number of aromatic rings:	2
Fsp3:	0.125
Number of carbons:	16

Plant sources

Part of plant	Plant name	Ref.
Leaf	Vitis vinifera
Leaf	Vitis vinifera

Activity Type	Activity Value	Target Name	UniProt ID
IC50	42000 nM	P-glycoprotein 1	P08183
AC50	85000 nM	P-glycoprotein 1	P08183
IC50	10000 nM	Bcr/Abl fusion protein	P11274
AC50	45000 nM	Bcr/Abl fusion protein	P11274
Others	23.52 %	Cytochrome P450 19A1	P11511
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	3162.3 nM	Ras-related protein Rab-9A	P51151
Potency	11220.2 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	2511.9 nM	Niemann-Pick C1 protein	O15118
Potency	11220.2 nM	Lysosomal alpha-glucosidase	P10253
Potency	115.8 nM	Geminin	O75496
Potency	5011.9 nM	Glucagon-like peptide 1 receptor	P43220
Potency	17782.8 nM	Breast cancer type 1 susceptibility protein	P38398
IC50	5100 nM	Quinone reductase 2	P16083
Others	27 %	Ras-related C3 botulinum toxin substrate 1	P63000
Others	22 %	Ras-related C3 botulinum toxin substrate 1	P63000
Others	14 %	Ras-related C3 botulinum toxin substrate 1	P63000
Others	61 %	Urokinase-type plasminogen activator	P00749
Others	25 %	Urokinase-type plasminogen activator	P00749
IC50	1400 nM	Cytochrome P450 1B1	Q16678
Ki	900 nM	Cytochrome P450 1B1	Q16678
Ki	570 nM	Cytochrome P450 1A1	P04798
IC50	10000 nM	Vanilloid receptor	Q8NER1