Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids
This article presents two types of phytochemical data obtained from Brucea javanica (L.) Merr. roots, a medicinal plant belonging to the Simaroubaceae family. The high-resolution LC–MS dataset comprised the chemical profile of dichloromethane extract, which was utilised to annotate 35 chemical const...
| 發表在: | Data in Brief |
|---|---|
| 主要作者: | |
| 格式: | Data paper |
| 語言: | English |
| 出版: |
Elsevier Inc.
2024
|
| 在線閱讀: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179626040&doi=10.1016%2fj.dib.2023.109895&partnerID=40&md5=8705c3d0382c4911ca97fbeff0f39b34 |
| id |
2-s2.0-85179626040 |
|---|---|
| spelling |
2-s2.0-85179626040 Mohd Yousof N.S.A.; Mohmad Misnan N.; Abdul Karim A.H.; Zainol M.; Mohd Abd Razak M.R.; Md Jelas N.H.; Ismail N.H.; Afzan A. Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids 2024 Data in Brief 52 10.1016/j.dib.2023.109895 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179626040&doi=10.1016%2fj.dib.2023.109895&partnerID=40&md5=8705c3d0382c4911ca97fbeff0f39b34 This article presents two types of phytochemical data obtained from Brucea javanica (L.) Merr. roots, a medicinal plant belonging to the Simaroubaceae family. The high-resolution LC–MS dataset comprised the chemical profile of dichloromethane extract, which was utilised to annotate 35 chemical constituents. For annotations, the measured spectral data were compared with the in-silico spectral data generated from 920 molecular structures previously reported in Simaroubaceae. Indole alkaloids, quassinoids, aliphatics and lignan were the chemical groups identified in the root extract. The second dataset provides NMR spectra (1H, 13C, COSY, HMQC and HMBC) for the six indole alkaloids previously detected in LC–MS analysis and isolated through centrifugal partition chromatography. The chemical structures of all compounds were confirmed based on NMR data as bruceolline J (compound 7), canthin-6-one-N-oxide (compound 10), bruceolline E (compound 15), 5-methoxycanthin-6-one (compound 16), canthin-6-one (compound 20), and 1‑hydroxy-11-methoxycanthin-6-one (compound 22). This phytochemical data was generated to support an ongoing anti-cancer and anti-dengue study. © 2023 The Author(s) Elsevier Inc. 23523409 English Data paper All Open Access; Gold Open Access; Green Open Access |
| author |
Mohd Yousof N.S.A.; Mohmad Misnan N.; Abdul Karim A.H.; Zainol M.; Mohd Abd Razak M.R.; Md Jelas N.H.; Ismail N.H.; Afzan A. |
| spellingShingle |
Mohd Yousof N.S.A.; Mohmad Misnan N.; Abdul Karim A.H.; Zainol M.; Mohd Abd Razak M.R.; Md Jelas N.H.; Ismail N.H.; Afzan A. Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| author_facet |
Mohd Yousof N.S.A.; Mohmad Misnan N.; Abdul Karim A.H.; Zainol M.; Mohd Abd Razak M.R.; Md Jelas N.H.; Ismail N.H.; Afzan A. |
| author_sort |
Mohd Yousof N.S.A.; Mohmad Misnan N.; Abdul Karim A.H.; Zainol M.; Mohd Abd Razak M.R.; Md Jelas N.H.; Ismail N.H.; Afzan A. |
| title |
Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| title_short |
Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| title_full |
Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| title_fullStr |
Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| title_full_unstemmed |
Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| title_sort |
Data on LC–MS profile of Brucea javanica (L.) Merr. and the NMR data of its major indole alkaloids |
| publishDate |
2024 |
| container_title |
Data in Brief |
| container_volume |
52 |
| container_issue |
|
| doi_str_mv |
10.1016/j.dib.2023.109895 |
| url |
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179626040&doi=10.1016%2fj.dib.2023.109895&partnerID=40&md5=8705c3d0382c4911ca97fbeff0f39b34 |
| description |
This article presents two types of phytochemical data obtained from Brucea javanica (L.) Merr. roots, a medicinal plant belonging to the Simaroubaceae family. The high-resolution LC–MS dataset comprised the chemical profile of dichloromethane extract, which was utilised to annotate 35 chemical constituents. For annotations, the measured spectral data were compared with the in-silico spectral data generated from 920 molecular structures previously reported in Simaroubaceae. Indole alkaloids, quassinoids, aliphatics and lignan were the chemical groups identified in the root extract. The second dataset provides NMR spectra (1H, 13C, COSY, HMQC and HMBC) for the six indole alkaloids previously detected in LC–MS analysis and isolated through centrifugal partition chromatography. The chemical structures of all compounds were confirmed based on NMR data as bruceolline J (compound 7), canthin-6-one-N-oxide (compound 10), bruceolline E (compound 15), 5-methoxycanthin-6-one (compound 16), canthin-6-one (compound 20), and 1‑hydroxy-11-methoxycanthin-6-one (compound 22). This phytochemical data was generated to support an ongoing anti-cancer and anti-dengue study. © 2023 The Author(s) |
| publisher |
Elsevier Inc. |
| issn |
23523409 |
| language |
English |
| format |
Data paper |
| accesstype |
All Open Access; Gold Open Access; Green Open Access |
| record_format |
scopus |
| collection |
Scopus |
| _version_ |
1792585508117807104 |