Supporting informations for: Cadinapyridine sesquiterpene alkaloids from Artemisia annua

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Supporting informations for: Cadinapyridine sesquiterpene alkaloids from Artemisia annua
Fabre, Nicolas; Vitrai, Adrien; Bourgeade-Delmas, Sandra; Saffon, Nathalie; Amoussa, Abdou Madjid O.; Lagnika, Latifou; Aubouy, Agnes; Jullian, Valérie, 2025, "Supporting informations for: Cadinapyridine sesquiterpene alkaloids from Artemisia annua", https://doi.org/10.23708/YYQHFP, DataSuds, V1
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Description
This set of data is supporting research on Artemisia annua, a Chinese traditional antipyretic plant, whose teas showed antimarial properties, and are used in area where malaria is endemic.

This plant is also the source of artemisinin (ART), a molecule of utmost importance in the therapeutic arsenal against malaria. In order to investigate the antimalarial efficacy of A. annua teas, a LC-MS metabolomic approach was conducted on various teas prepared from different batches of A. annua collected in Benin and France and highlighted an original nitrogenous compound.

This study describe the identification of this compound, together with 2 others alkaloids isolated from A. annua and reported for the first time.

This set of data contains NMR spectra for compounds 1, 2 and 3, as well as their LC-HRMS data. (2025-02-11)
Subject Chemistry; Medicine, Health and Life Sciences
Keyword Artemisia annua, Malaria, Alkaloids
Related Publication Fabre N. et al. "Cadinapyridine sesquiterpene alkaloids from Artemisia annua", publication submitted to Plos One.
Notes Data types : Experimental data and Analysis Data
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README_FYYQHFP.txt
Plain Text - 1.2 KB
Published Jun 30, 2025
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MD5: ff3955004ffe87c30cac139c6f86cc9a
Contains citation, description and conditions of use of dataset data
Documentation
Preview "README_FYYQHFP.txt"
2022-06-08-Ext-A_annua-F1-4_1mgmL-Meoh-pos.raw
LC-HRM_data/Bitmap Image - 40.1 MB
Published Jun 30, 2025
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MD5: ac37d755031d95ef49c5e6de48b15539
UHPLC/DAD/HRMS analisis for compound 3. It was performed using an UHPLC Ultimate 3000 system (Dionex) equipped with an LTQ-Orbitrap XL mass spectrometer (Thermo Fisher Scientific), a Diode Array Detector system (Dionex), and a Waters Acquity PREMIER C18 UPLC BEH 100 Å column (2.1 × 100 mm, 1.7 μm). Chromeleon Xpress 6.8 (Dionex) and Xcalibur 3.0 (Thermo Fischer Scientific) softwares were used for data acquisition and analysis. Mobile phase A consisted of methanol with 0.1% of formic acid and mobile phase B was water with 0.1% of formic acid.The binary linear solvent gradient was as follows: At 0 min, 5% A-95% B; 0.5 min, 5% A-95% B; 10 min, 95% A-5% B; 12 min, 95% A-5% B; 12.5 min, 5% A-95% B; 15 min, 5% A-95% B. The flow rate was 0.3 mL/min, the column temperature was set to 40 °C.
Données
2023-03-22-AT2-F2-F1.raw
LC-HRM_data/Bitmap Image - 34.5 MB
Published Jun 30, 2025
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MD5: b1f3566ff38dfadb9667a7f8e45e0abe
UHPLC/DAD/HRMS analysis for compound 1. It was performed using an UHPLC Ultimate 3000 system (Dionex) equipped with an LTQ-Orbitrap XL mass spectrometer (Thermo Fisher Scientific), a Diode Array Detector system (Dionex), and a Waters Acquity PREMIER C18 UPLC BEH 100 Å column (2.1 × 100 mm, 1.7 μm). Chromeleon Xpress 6.8 (Dionex) and Xcalibur 3.0 (Thermo Fischer Scientific) softwares were used for data acquisition and analysis. Mobile phase A consisted of acetonitile with 0.1% of formic acid and mobile phase B was water with 0.1% of formic acid.The binary linear solvent gradient was as follows: At 0 min, 5% A-95% B; 0.5 min, 5% A-95% B; 10 min, 95% A-5% B; 12 min, 95% A-5% B; 12.5 min, 5% A-95% B; 15 min, 5% A-95% B. The flow rate was 0.3 mL/min, the column temperature was set to 40 °C.
Données
2023-03-22-AT2-F2-F2.raw
LC-HRM_data/Bitmap Image - 34.7 MB
Published Jun 30, 2025
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MD5: 5d6f6bdd8e7c4686e9b2cecb5bb3e318
UHPLC/DAD/HRMS analysis for compound 2. It was performed using an UHPLC Ultimate 3000 system (Dionex) equipped with an LTQ-Orbitrap XL mass spectrometer (Thermo Fisher Scientific), a Diode Array Detector system (Dionex), and a Waters Acquity PREMIER C18 UPLC BEH 100 Å column (2.1 × 100 mm, 1.7 μm). Chromeleon Xpress 6.8 (Dionex) and Xcalibur 3.0 (Thermo Fischer Scientific) softwares were used for data acquisition and analysis. Mobile phase A consisted of acetonitile with 0.1% of formic acid and mobile phase B was water with 0.1% of formic acid.The binary linear solvent gradient was as follows: At 0 min, 5% A-95% B; 0.5 min, 5% A-95% B; 10 min, 95% A-5% B; 12 min, 95% A-5% B; 12.5 min, 5% A-95% B; 15 min, 5% A-95% B. The flow rate was 0.3 mL/min, the column temperature was set to 40 °C.
Données
2023-04-11-A-annua-tisane-1g-brut.raw
LC-HRM_data/Bitmap Image - 35.4 MB
Published Jun 30, 2025
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MD5: b66310a79c10ee0fddba765aa3378cce
UHPLC/DAD/HRMS analysis for A. annua tea. It was performed using an UHPLC Ultimate 3000 system (Dionex) equipped with an LTQ-Orbitrap XL mass spectrometer (Thermo Fisher Scientific), a Diode Array Detector system (Dionex), and a Waters Acquity PREMIER C18 UPLC BEH 100 Å column (2.1 × 100 mm, 1.7 μm). Chromeleon Xpress 6.8 (Dionex) and Xcalibur 3.0 (Thermo Fischer Scientific) softwares were used for data acquisition and analysis. Mobile phase A consisted of acetonitile with 0.1% of formic acid and mobile phase B was water with 0.1% of formic acid.The binary linear solvent gradient was as follows: At 0 min, 5% A-95% B; 0.5 min, 5% A-95% B; 10 min, 95% A-5% B; 12 min, 95% A-5% B; 12.5 min, 5% A-95% B; 15 min, 5% A-95% B. The flow rate was 0.3 mL/min, the column temperature was set to 40 °C.
Données
Pack2D 220_Compound_3-CDCl3.mnova
NMR_spectra/Unknown - 49.6 MB
Published Jun 30, 2025
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MD5: 63f5ee0d9b52b99ca463d1cc0e9170c8
1H, 13C (JMOD), COSY, HSQC, HMBC, NMR spectra of compound 3, recorded in CDCl3, on a Bruker Avance 500 MHz instrument equipped with a 5 mm TCI Prodigy CryoProbe
Données
Pack2D 233_Compound_1-CDCl3.mnova
NMR_spectra/Unknown - 56.4 MB
Published Jun 30, 2025
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MD5: b28177c91580e7d3142cdecf2e82c062
1H, 13C (JMOD), COSY, HSQC, HMBC, NOESY NMR spectra of compound 1, recorded in CDCl3, on a Bruker Avance 500 MHz instrument equipped with a 5 mm TCI Prodigy CryoProbe
Données
Pack2D 234_Compound_2-CD2Cl2.mnova
NMR_spectra/Unknown - 43.5 MB
Published Jun 30, 2025
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MD5: 855bf66c5aa1df7d137755080c2f9e8f
1H, 13C (JMOD), COSY, HSQC, HMBC, NOESY NMR spectra of compound 2, recorded in CD2Cl2, on a Bruker Avance 500 MHz instrument equipped with a 5 mm TCI Prodigy CryoProbe
Données
Pack2D 234_Compound_2-CDCl3.mnova
NMR_spectra/Unknown - 57.8 MB
Published Jun 30, 2025
0 Downloads
MD5: 27f722fc3769496521277f4555fbb266
1H, 13C (JMOD), COSY, HSQC, HMBC, NOESY NMR spectra of compound 2, recorded in CDCl3, on a Bruker Avance 500 MHz instrument equipped with a 5 mm TCI Prodigy CryoProbe
Données
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