The (+)-Methysticin with the cas number 495-85-2 is also called (6S)-6-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one. The systematic name is (2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-methoxy-2,3-dihydropyran-6-one. Its product category is Coumarins. The molecular formula is C₁₅H₁₄O₅.

The properties of the chemical are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 53.99Ų; (9)Index of Refraction: 1.597; (10)Molar Refractivity: 70.98 cm³; (11)Molar Volume: 208.2 cm³; (12)Polarizability: 28.13×10^-24cm³; (13)Surface Tension: 51.4 dyne/cm ; (14)Enthalpy of Vaporization: 76.42 kJ/mol; (15)Vapour Pressure: 5.39×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC1=CC(=O)OC(C1)C=Cc2ccc3c(c2)OCO3
(2)InChI: InChI=1/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2+/t11-/m1/s1
(3)InChIKey: GTEXBOVBADJOQH-JRBALWBOBN

The toxicity data is as follows: