Table 1.
A total of twenty-seven ingredients were selected as the details of the active ingredients of AMK in this study.
| No. | Mol ID | CAS No. | Molecule Name | OB | DL | Concentration： DW (mg/g) or The relative content = Volatile ingredient / total volatile oil×100% | Reference |
|---|---|---|---|---|---|---|---|
| 1 | MOL000050 | 56-40-6 | Glycine | 48.74 | 0.00 | 0.70 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 2 | MOL000054 | 74-79-3 | Arginin | 47.64 | 0.03 | 16.1 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 3 | MOL000056 | 60-18-4 | L-Tyrosine | 57.55 | 0.05 | 1.60 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 4 | MOL000061 | 147-85-3 | L-Proline | 77.57 | 0.01 | 2.30 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 5 | MOL000064 | 302-84-1 | DL-Serine | 83.59 | 0.01 | 1.80 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 6 | MOL000065 | 6899-03-2 | L-aspartic acid | 79.74 | 0.02 | 5.30 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 7 | MOL000067 | 7004-03-7 | Valine | 53.33 | 0.01 | 3.60 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 8 | MOL000071 | 30641-68-0 | 2-amino-3-(3H-imidazol-4-yl)propanoic acid | 53.18 | 0.03 | 0.40 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 9 | MOL000042 | 115967-49-2 | (2S)-2-aminopropanoic acid | 87.69 | 0.01 | 1.60 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 10 | MOL000041 | 5297-02-9 | (2S)-2-amino-3-phenylpropanoic acid | 41.62 | 0.04 | 0.70 mg/g | C.-Y. Hu et al. “Nutritional components of wild plant Qibaizhu (Atractylodes macracephala Koidz),” Journal of Biology, 3 (2005). |
| 11 | MOL000047 | 473-04-1 | juniper camphor | 33.30 | 0.10 | 0.66 % | LI, Ying. GC-MS analysis of the essential oil components in Atractylodis Macrocephalae Rhizoma and its stir-baked product. Chinese Journal of Pharmaceutical Analysis 33.7 (2013): 1210-1217. |
| 12 | MOL000038 | 260-94-6 | Akridin | 33.71 | 0.10 | 0.31 % | Q. Qiu,et al. Study on the chemical constituents of the volatile oil of atractylodes atractylodes by gc-ms. Chinese Traditional and Herbal Drugs. vol.11, pp.23-24+44, 2002. |
| 13 | MOL000025 | 1493692 | α-Longipinene | 53.26 | 0.12 | 0.15 % | LI, Ying. GC-MS analysis of the essential oil components in Atractylodis Macrocephalae Rhizoma and its stir-baked product. Chinese Journal of Pharmaceutical Analysis 33.7 (2013): 1210-1217. |
| 14 | MOL000019 | 5794-03-6 | D-Camphene | 34.98 | 0.04 | 0.02 % | Zhou J.J., Xie G.R., Yan X.J. Chemical composition of traditional Chinese medicine. Science Press, 2009 |
| 15 | MOL000018 | 124-76-5 | DL-Isoborneol | 86.98 | 0.05 | 6.71 % | X. D, Li. et al. Extraction process of the essential oil from Zingiber officinale Rosc. and Atractylodes macrocephala Koidz. Journal of Shenyang Pharmaceutical University 1 (2003). |
| 16 | MOL000022 | 113269-36-6 | 14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol | 63.37 | 0.3 | Identified | Yao, C.M., Yang, X.W. Bioactivity-guided isolation of polyacetylenes with inhibitory activity against NO production in LPS-activated RAW264.7 macrophages from the rhizomes of Atractylodes macrocephala. Ethnopharmacol. 151, pp. 791–799, 2014. |
| 17 | MOL000030 | 103729-80-2 | (±)-2-methyl-1-phenylprop-2-en-1-ol | 75.1 | 0.03 | Identified | Zhou J.J., Xie G.R., Yan X.J. Chemical composition of traditional Chinese medicine. Science Press, 2009 |
| 18 | MOL000072 | 113269-35-5 | 8β-ethoxy atractylenolide III | 35.95 | 0.21 | Identified | Z.-L. Chen, "The acetylenes from Atractylodes macrocephala," Planta Medica, 53, 5, pp. 493–494, 1987. |
| 19 | MOL000048 | 19912-61-9 | furanodiene | 43.17 | 0.1 | 0.314 % | Q. Zhang, Z. W. Li. Studies on chemical constituents of the essential of Atractylodes macrocephala Koidz. West china journal of pharmaceutical sciences.1997,2. |
| 20 | MOL000023 | 5989-27-5 | Limonene | 39.84 | 0.02 | 0.007 % | Zheng J. Analysis on Chemical Constituents of Essential Oils from Different Varieties of Atractylodes macrocephala by GC-MS. China Pharmacy 31 (2007). |
| 21 | MOL000033 | 64997-52-0 | Beta-sitosterol | 36.23 | 0.78 | Identified | Sun, Xue, et al. “Influence of sulfur fumigation on the chemical profiles of Atractylodes macrocephala Koidz. evaluated by UFLC–QTOF–MS combined with multivariate statistical analysis.” Journal of pharmaceutical and biomedical analysis 141 (2017): 19-31. |
| 22 | MOL000066 | 25246-27-9 | Alloaromadendrene | 53.46 | 0.1 | 0.039 % | Zheng J. Analysis on Chemical Constituents of Essential Oils from Different Varieties of Atractylodes macrocephala by GC-MS. China Pharmacy 31 (2007). |
| 23 | MOL000057 | 84-69-5 | DIBP | 49.63 | 0.13 | Identified | Zhou J.J., Xie G.R., Yan X.J. Chemical composition of traditional Chinese medicine. Science Press, 2009 |
| 24 | MOL000060 | 54707-47-0 | selina-4(14),7(11)-dien-8-one | 32.31 | 0.1 | Identified | Sun, Xue, et al. “Influence of sulfur fumigation on the chemical profiles of Atractylodes macrocephala Koidz. evaluated by UFLC–QTOF–MS combined with multivariate statistical analysis.” Journal of pharmaceutical and biomedical analysis 141 (2017): 19-31. |
| 25 | MOL000043 | 73069-13-3 | atractylenolide I | 37.37 | 0.15 | 0.375 mg/g | Y.-H. Meng et al. “Determination of Atractylone and other four effective components in Atractylodes macrocephala and its processed products by HPLC,” Chemical Engineer, 33, 08 pp.24-26, 2019. |
| 26 | MOL000046 | 6989-21-5 | atractylone | 41.1 | 0.13 | 46.05 % | LI, Ying. “GC-MS analysis of the essential oil components in Atractylodis Macrocephalae Rhizoma and its stir-baked product,” Chinese Journal of Pharmaceutical Analysis, vol.33 no.7 pp. 1210-1217, 2013. |
| 27 | MOL000049 | 61206-10-8 | 3β-acetoxyatractylone | 54.07 | 0.22 | Identified | Shan, Guo-Shun, et al. “Metabolomic study of raw and processed Atractylodes macrocephala Koidz by LC–MS.” Journal of pharmaceutical and biomedical analysis 98 (2014): 74-84. |