A Active Compounds of Atractylodes Lancea(Thunb.) D.C and Their Molecular Structures

Active Compound OB(%) DL Smile Number Structure
1 Wogonin 30.68 0.23 COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
2 2-Hydroxyisoxypropyl-3- hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic 45.20 0.20 CC(=CCC1=C2C(=CC(=C1)C(=O)O)C(C(O2)C(C)(C)O)O)C
3 NSC63551 39.25 0.76 CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C(C)C
4 Stigmasterol3-O-beta-D- glucopyranoside_qt 43.83 0.76 CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
5 3β-acetoxyatractylone 40.57 0.22 CC1=COC2=C1CC3C(=C)C(CCC3(C2)C)OC(=O)C
6 Beta-daucosterol_qt* 36.91 0.75 - -
7 Beta-sitosterol3-O-glucoside_qt* 36.91 0.75 - -
8 Daucosterin_qt 36.91 0.76 CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
9 Daucosterol_qt 36.91 0.76 CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
The SMILE number and the structure are not detected on both components.
The molecular structure and SMILE number identified in Pubchem were the same.