Xanthalin

Analysis of Saposhnikoviae Radix and Libonotidis Radix Based on "Characteristic Ion Set" and Chemometrics.[Pubmed:40794015]

J Mass Spectrom. 2025 Sep;60(9):e5164.

To enrich detection methods of Saposhnikoviae Radix (SR) adulterated Libonotidis Radix (LR) and improve the screening efficiency, this paper conducted an analysis of SR and LR based on chemometrics and "characteristic ion set." Firstly, the samples were analyzed by liquid chromatography-mass spectrometer and converted into data matrix. After feature algorithm extraction, the "characteristic ion set" of SR and LR was obtained to match the test and blind market samples for feedback matching index (MI). In addition, the LR proprietary component was extracted to verify the MI analysis based on "characteristic ion set." Three percent LR adulteration was identified based on "characteristic ion set," and two market blind samples were identified as adulterated samples. Xanthalin was the LR proprietary component. Moreover, the analysis based on "characteristic ion set" is reliable through chemometric analysis and extraction of proprietary ions. "Characteristic ion set" and chemometrics can enrich the detection methods of SR and LR and improve the screening efficiency.

Identifying the compounds that can distinguish between Saposhnikovia root and its substitute, Peucedanum ledebourielloides root, using LC-HR/MS metabolomics.[Pubmed:32333306]

J Nat Med. 2020 Jun;74(3):550-560.

Previously, we established a (1)H NMR metabolomics method using reversed-phase solid-phase extraction column (RP-SPEC), and succeeded in distinguishing wild from cultivated samples of Saposhnikoviae radix (SR), and between SR and its substitute, Peucedanum ledebourielloides root (PR). Herein, we performed LC-HR/MS metabolomics using fractions obtained via RP-SPEC to identify characteristic components of SR and PR. One and three characteristic components were respectively found for SR and PR; these components were isolated with their m/z values and retention times as a guide. The characteristic component of SR was identified as 4'-O-beta-D-glucosyl-5-O-methylvisamminol (1), an indicator component used to identify SR in the Japanese Pharmacopoeia. In contrast, the characteristic components of PR were identified as Xanthalin (2), 4'-O-beta-D-apiosyl (1 --> 6)-beta-D-glucosyl-5-O-methylvisamminol (3), and 3'-O-beta-D-apiosyl (1 --> 6)-beta-D-glucosylhamaudol (4) based on spectroscopic data such as 1D- and 2D-NMR, MS, and specific optical rotation. Among them, 4 is a novel compound. For the correlation between the NMR metabolomics results in the present and our previous report, only 1 and 2 were found to correlate with the chemical shifts, and the other compounds had no correlation. As the chemical shifts for compounds 1, 3, and 4 were similar to each other, especially for the aglycone moiety, they could not be distinguished because of the sensitivity and resolution of (1)H NMR. Accordingly, combining NMR and LC/MS metabolomics with their different advantages is considered useful for metabolomics of natural products. The series of methods used in our reports could aid in quality evaluations of natural products and surveying of marker components.

Botanical origin and chemical constituents of commercial Saposhnikoviae radix and its related crude drugs available in Shaanxi and the surrounding regions.[Pubmed:29149424]

J Nat Med. 2018 Jan;72(1):267-273.

Saposhnikoviae radix (SR) is described in the Japanese Pharmacopoeia as a crude drug derived from the root of Saposhnikovia divaricata Schischkin (Umbelliferae). According to Flora of China, the root of Peucedanum ledebourielloides K. F. Fu is used as a regional substitute for SR. Therefore, we surveyed the botanical origin of the drug used in China, especially Shaanxi and the surrounding regions, through nucleotide sequence analysis of the internal transcribed spacer region of rDNA. As a result, several samples from Shaanxi () and Shanxi () provinces were identified as Peucedanum ledebourielloides. To prevent this substitute from being distributed as genuine SR, we developed a thin-layer chromatography analysis condition to enable a specific compound of this species to be easily detected. The specific compound was identified as Xanthalin, based on 1D- and 2D-NMR and high-resolution mass spectrometry data. The established TLC conditions were as follows-extraction solvent, n-hexane; applied volume, 5 microL; chromatographic support, silica gel; developing solvent, n-hexane:ethyl acetate:acetic acid (20:10:1); developing length, 7 cm; detection, UV (365 nm); R (f) value, 0.4 (blue fluorescence; Xanthalin).

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