Pentamethylquercetin

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL19032
PubChem:	97332
IUPAC:	2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Standard InChI:	InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3
Standard InChI Key:	ALGDHWVALRSLBT-UHFFFAOYSA-N
SMILES:	COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC

Molecular propeties
AlogP:	3.5
Hydrogen bonds acceptors:	7
Hydrogen bonds donors:	0
Rotatable bonds:	6
Number of rings:	3
Molecular Weight:	372.12
Topological polar surface area:	72.4
Number of aromatic rings:	3
Fsp3:	0.25
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Senecio platyphylloides

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	35481.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	31622.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	10000 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	19952.6 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	1000 nM	MAP kinase ERK2	P28482
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	1258.9 nM	Cytochrome P450 3A4	P08684
Potency	1258.9 nM	Cytochrome P450 3A4	P08684
Potency	7304.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Others	8.7	ATP-binding cassette sub-family G member 2	Q9UNQ0
Others	7.9	ATP-binding cassette sub-family G member 2	Q9UNQ0
Others	0.8	Multidrug resistance-associated protein 1	P33527
Potency	12589.3 nM	Glucagon-like peptide 1 receptor	P43220
IC50	26350 nM	Multidrug resistance-associated protein 1	P33527
Others	25 %	Multidrug resistance-associated protein 1	P33527
Others	25 %	P-glycoprotein 1	P08183
IC50	23400 nM	P-glycoprotein 1	P08183
IC50	1880 nM	ATP-binding cassette sub-family G member 2	Q9UNQ0
IC50	822 nM	ATP-binding cassette sub-family G member 2	Q9UNQ0