Magnolol

Representations & DB's id
ChEBI:	CHEBI:6643
ChEMBL:	CHEMBL180920
PubChem:	72300
IUPAC:	2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
Standard InChI:	InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
Standard InChI Key:	VVOAZFWZEDHOOU-UHFFFAOYSA-N
SMILES:	C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O

Molecular propeties
AlogP:	4.22
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	5
Number of rings:	2
Molecular Weight:	266.13
Topological polar surface area:	40.5
Number of aromatic rings:	2
Fsp3:	0.111
Number of carbons:	18

Plant sources

Part of plant	Plant name	Ref.
Rhizoma	Rheum palmatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	39810.7 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	39810.7 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	562.3 nM	Microtubule-associated protein tau	P10636
Potency	31622.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	12589.3 nM	Neuropeptide S receptor	Q6W5P4
Potency	31622.8 nM	Lysosomal alpha-glucosidase	P10253
Potency	15848.9 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	31622.8 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	9200 nM	Geminin	O75496
Potency	18887.6 nM	Ataxin-2	Q99700
Potency	11220.2 nM	Glucagon-like peptide 1 receptor	P43220
EC50	3280 nM	Cannabinoid CB2 receptor	P34972
Others	0 %	G-protein coupled receptor 55	Q9Y2T6
Ki	1440 nM	Cannabinoid CB2 receptor	P34972
Ki	3150 nM	Cannabinoid CB1 receptor	P21554
EC50	18300 nM	Cannabinoid CB1 receptor	P21554