Retusin

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL77966
PubChem:	5352005
IUPAC:	2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
Standard InChI:	InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
Standard InChI Key:	HHGPYJLEJGNWJA-UHFFFAOYSA-N
SMILES:	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC

Molecular propeties
AlogP:	3.2
Hydrogen bonds acceptors:	7
Hydrogen bonds donors:	1
Rotatable bonds:	5
Number of rings:	3
Molecular Weight:	358.11
Topological polar surface area:	83.4
Number of aromatic rings:	3
Fsp3:	0.211
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Senecio platyphylloides
Plant	Ononis spinosa

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Others	13	ATP-binding cassette sub-family G member 2	Q9UNQ0
Others	19.3	ATP-binding cassette sub-family G member 2	Q9UNQ0
Others	0.7	Multidrug resistance-associated protein 1	P33527
IC50	570 nM	ATP-binding cassette sub-family G member 2	Q9UNQ0
IC50	540 nM	ATP-binding cassette sub-family G member 2	Q9UNQ0