Obovatol is a diphenyl ether lignan extracted from the leaves of Magnolia obovata Thunb.

Physicochemical Properties

Molecular Formula	C18H18O3
Molecular Weight	282.33372
Exact Mass	282.126
CAS #	83864-78-2
PubChem CID	100771
Appearance	Colorless to light yellow liquid
Density	1.149g/cm3
Boiling Point	413.6ºC at 760 mmHg
Flash Point	203.9ºC
Index of Refraction	1.601
LogP	4.347
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	21
Complexity	333
Defined Atom Stereocenter Count	0
SMILES	OC1C(O)=C(OC2C=CC(CC=C)=CC=2)C=C(CC=C)C=1
InChi Key	OPGPFZQBCIAFLI-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H18O3/c1-3-5-13-7-9-15(10-8-13)21-17-12-14(6-4-2)11-16(19)18(17)20/h3-4,7-12,19-20H,1-2,5-6H2
Chemical Name	5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. Obovatol and obovatal, novel biphenyl ether lignans from the leaves of Magnolia obovata Thunb. Chem Pharm Bull (Tokyo). 1982;30(9):3347-3353.
Additional Infomation	Obovatol has been reported in Magnolia officinalis, Magnoliaceae, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~200 mg/mL (~708.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (17.71 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (17.71 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 5 mg/mL (17.71 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.5420 mL	17.7098 mL	35.4195 mL
	5 mM	0.7084 mL	3.5420 mL	7.0839 mL
	10 mM	0.3542 mL	1.7710 mL	3.5420 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.