Description
Eupatolide is a natural compound extracted from Inula britannica, which is used in Eastern Asia to treat bronchitis, disorders of the digestive system and inflammation. Eupatolide exhibits inhibitory effects on the migration and invasion of breast cancer cells.
Synonyms
Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-4-hydroxy-6,10-dimethyl-3-methylene-, (3aR,4R,6E,10E,11aR)-; (3aR,4R,6E,10E,11aR)-4-Hydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
IUPAC Name
(3aR,4R,6E,10E,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Molecular Formula
C15H20O3
Canonical SMILES
CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14-/m1/s1
InChIKey
PDEJECFRCJOMEN-OURLZOILSA-N
Boiling Point
438.7±45.0°C (Predicted)
Melting Point
182.1-188.1°C
Density
1.11±0.1 g/cm3 (Predicted)
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
pKa
13.92±0.60(Predicted)