Isoeleutherin is a naphthol analogue extracted from Merr. Et Heyne and has antifungal, antiviral and anticancer effects. Isoeleutherin plays an important role in the selective regulation of T helper cell-mediated immune responses.

Physicochemical Properties

Molecular Formula	C16H16O4
Molecular Weight	272.30
Exact Mass	272.104
CAS #	1078723-14-4
PubChem CID	101164912
Appearance	Yellow to orange solid powder
Density	1.3±0.1 g/cm3
Boiling Point	465.3±45.0 °C at 760 mmHg
Melting Point	168 - 170
Flash Point	208.7±28.8 °C
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.581
LogP	3.27
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Complexity	479
Defined Atom Stereocenter Count	2
SMILES	C[C@H]1CC2=C([C@@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC
InChi Key	IAJIIJBMBCZPSW-IUCAKERBSA-N
InChi Code	InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9-/m0/s1
Chemical Name	(1S,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
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]. Polyketides from Eleutherine bulbosa. Nat Prod Res. 2010 Oct;24(16):1578-86.

Solubility Data

Solubility (In Vitro)

DMSO : 10 mg/mL (36.72 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (3.67 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (3.67 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 10.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.6724 mL	18.3621 mL	36.7242 mL
	5 mM	0.7345 mL	3.6724 mL	7.3448 mL
	10 mM	0.3672 mL	1.8362 mL	3.6724 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.