ArticlePhytochemistry2015
NMR spectroscopic search module for Spektraris, an online resource for plant natural product identification--Taxane diterpenoids from Taxus × media cell suspension cultures as a case study.
Article in Phytochemistry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
19 citing papers in PubMed, 34 citations in OpenAlex.
- NMRExtractor: leveraging large language models to construct an experimental NMR database from open-source scientific publications.Chemical science · 2025Article
- Overview and limitations of database in global traditional medicines: A narrative review.Acta pharmacologica Sinica · 2025Review
- 3'-8″- Biflavones: A Review of Their Structural Diversity, Natural Occurrence, Role in Plants, Extraction and Identification.Molecules (Basel, Switzerland) · 2024Review
- Natural Products Dereplication: Databases and Analytical Methods.Progress in the chemistry of organic natural products · 2024Review
- Artificial intelligence in microbial natural product drug discovery: current and emerging role.Natural product reports · 2022Review
- Metabolome and Transcriptome Profiling Reveal That Four Terpenoid Hormones Dominate the Growth and Development of Sanghuangporus baumiiJournal of fungi (Basel, Switzerland) · 2022Article
- Differential Accumulation of Metabolites and Transcripts Related to Flavonoid, Styrylpyrone, and Galactolipid Biosynthesis inMetabolites · 2022Article
- NP-MRD: the Natural Products Magnetic Resonance Database.Nucleic acids research · 2022Article
- Taxanes and taxoids of the genus Taxus - A comprehensive inventory of chemical diversity.Phytochemistry · 2021Review
- The exposome paradigm to predict environmental health in terms of systemic homeostasis and resource balance based on NMR data science.RSC advances · 2021Review
- COCONUT online: Collection of Open Natural Products database.Journal of cheminformatics · 2021Article
- Biochemical characterization of acyl activating enzymes for side chain moieties of Taxol and its analogs.The Journal of biological chemistry · 2020Article
- Review on natural products databases: where to find data in 2020.Journal of cheminformatics · 2020Review
- A database-driven approach identifies additional diterpene synthase activities in the mint family (Lamiaceae).The Journal of biological chemistry · 2019Article
- Assessing Chemical Diversity inFrontiers in plant science · 2019Article
- Biosynthesis of Diterpenoids inPlant physiology · 2017Article
- Integrative Approaches for the Identification and Localization of Specialized Metabolites in Tripterygium Roots.Plant physiology · 2017Article
- A suicide attempt by intoxication with Taxus baccata leaves and ultra-fast liquid chromatography-electrospray ionization-tandem mass spectrometry, analysis of patient serum and different plant samples: case report.BMC pharmacology & toxicology · 2016Article
- Open-access metabolomics databases for natural product research: present capabilities and future potential.Frontiers in bioengineering and biotechnology · 2015Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors at 1 institution in 1 country.
Funding
Abstract
Development and testing of Spektraris-NMR, an online spectral resource, is reported for the NMR-based structural identification of plant natural products (PNPs). Spektraris-NMR allows users to search with multiple spectra at once and returns a table with a list of hits arranged according to the goodness of fit between query data and database entries. For each hit, a link to a tabulated alignment of (1)H NMR and (13)C NMR spectroscopic peaks (query versus database entry) is provided. Furthermore, full spectroscopic records and experimental meta information about each database entry can be accessed online. To test the utility of Spektraris-NMR for PNP identification, the database was populated with NMR data (total of 466 spectra) for ∼ 250 taxanes, which are structurally complex diterpenoids (including the anticancer drug taxol) commonly found in the genus Taxus. NMR data generated with metabolites purified from Taxus cell suspension cultures were then used to search Spektraris-NMR, and enabled the identification of eight taxanes with high confidence. A ninth isolated metabolite could be assigned, based on spectral searches, to a taxane skeletal class, but no high confidence hit was produced. Using various spectroscopic methods, this metabolite was characterized as 2-deacetylbaccatin IV, a novel taxane. These results indicate that Spektraris-NMR is a valuable resource for rapid and reliable identification of known metabolites and has the potential to contribute to de-replication efforts in novel PNP discovery.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.