The CAS register number of Atractylodin is 55290-63-6. It also can be called as (E,E)-2-(1,7-Nonadiene-3,5-diynyl)furan and the IUPAC name about this chemical is 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan. The molecular formula about this chemical is C₁₃H₁₀O and the molecular weight is 182.22. It belongs to the Miscellaneous Natural Products. This chemical can be isolated from Atractylodes plants.

Physical properties about Atractylodin are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 6.38; (5)ACD/BCF (pH 5.5): 41388.84; (6)ACD/BCF (pH 7.4): 41388.84; (7)ACD/KOC (pH 5.5): 70201.8; (8)ACD/KOC (pH 7.4): 70201.8; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 13.14Ų; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 58.3 cm³; (14)Molar Volume: 172.4 cm³; (15)Polarizability: 23.11x10^-24cm³; (16)Surface Tension: 44.8 dyne/cm; (17)Enthalpy of Vaporization: 52.41 kJ/mol; (18)Boiling Point: 305.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00148 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C\C=C\c1occc1)C#C/C=C/C
(2)InChI: InChI=1/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
(3)InChIKey: GRBKWAXRYIITKG-QFMFQGICBF
(4)Std. InChI: InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+
(5)Std. InChIKey: GRBKWAXRYIITKG-QFMFQGICSA-N