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Structure Revision of Asperjinone Using Computer-Assisted Structure Elucidation Methods

https://doi.org/10.1021/np300218g
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/mrc.2849openalex-snapshot
Elucidating ‘undecipherable’ chemical structures using computer‐assisted structure elucidation approaches
inferredcites →https://doi.org/10.1016/j.pnmrs.2007.04.003openalex-snapshot
Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation
inferredcites →https://doi.org/10.1021/ac102151gopenalex-snapshot
Identification of Multiple Impurities in a Pharmaceutical Matrix Using Preparative Gas Chromatography and Computer-Assisted Structure Elucidation
inferredcites →https://doi.org/10.1021/ci0341060openalex-snapshot
Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments
inferredcites →https://doi.org/10.1021/ci700256nopenalex-snapshot
Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches
inferredcites →https://doi.org/10.1021/np070557topenalex-snapshot
Applying Computer-Assisted Structure Elucidation Algorithms for the Purpose of Structure Validation: Revisiting the NMR Assignments of Hexacyclinol
inferredcites →https://doi.org/10.1021/np200866zopenalex-snapshot
Asperjinone, a Nor-Neolignan, and Terrein, a Suppressor of ABCG2-Expressing Breast Cancer Cells, from Thermophilic Aspergillus terreus
inferredcites →https://doi.org/10.1039/9781849734578openalex-snapshot
Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation
inferredcites →https://doi.org/10.1039/b400678jopenalex-snapshot
Recent developments in automated structure elucidation of natural products
inferredcites →https://doi.org/10.1039/c002332aopenalex-snapshot
Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1016/j.phytochem.2021.112969zenodo-depositor-declared
Phaeosphspirone (1/1′), a pair of unique polyketide enantiomers with an unusual 6/5/5/6 tetracyclic ring from the desert plant endophytic fungus Phaeosphaeriaceae sp.
inferred← citeshttps://doi.org/10.1002/9783527664610.ch13openalex-snapshot
On the Search for the Appropriate Techniques for Structural Elucidation of Small Molecules
inferred← citeshttps://doi.org/10.1002/9783527806539.ch5openalex-snapshot
Structure–Spectrum Correlations and Computer‐Assisted Structure Elucidation
inferred← citeshttps://doi.org/10.1002/chem.201601150openalex-snapshot
Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations
inferred← citeshttps://doi.org/10.1002/ejoc.202200572openalex-snapshot
Reassignment of Improbable Natural Products Identified through Chemical Principle Screening
inferred← citeshttps://doi.org/10.1007/978-3-319-49712-9_3openalex-snapshot
A Critical Evaluation of the Quality of Published 13C NMR Data in Natural Product Chemistry
inferred← citeshttps://doi.org/10.1007/978-3-662-46402-1_1openalex-snapshot
Fundamentals of Structure Elucidator System
inferred← citeshttps://doi.org/10.1007/978-3-662-46402-1_2openalex-snapshot
Strategies of Structure Elucidation
inferred← citeshttps://doi.org/10.1007/978-3-662-46402-1_4openalex-snapshot
Structure Elucidation Using Strict Structure Generation
inferred← citeshttps://doi.org/10.1007/s13659-016-0115-5openalex-snapshot
Natural Products Diversity of Marine Ascidians (Tunicates; Ascidiacea) and Successful Drugs in Clinical Development
inferred← citeshttps://doi.org/10.1016/j.bioorg.2022.106208openalex-snapshot
Guaiane-type sesquiterpenoids with various ring skeletons from Daphne bholua uncovered by molecular networking and structural revisions of previously reported analogues
inferred← citeshttps://doi.org/10.1016/j.copbio.2013.08.005openalex-snapshot
Recent advances and new strategies in the NMR-based identification of natural products
inferred← citeshttps://doi.org/10.1016/j.fitote.2026.107336openalex-snapshot
Bioactive biphenyl derivatives from Garcinia nujiangensis and structural revision
inferred← citeshttps://doi.org/10.1016/j.tetlet.2022.153680openalex-snapshot
An unprecedented tetracyclic diterpenoid with anti-inflammatory activity from Papiliomyces sp.
inferred← citeshttps://doi.org/10.1016/j.trac.2015.02.014openalex-snapshot
Identification and structure elucidation by NMR spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jchemed.9b00498openalex-snapshot
CASE (Computer-Assisted Structure Elucidation) Study for an Undergraduate Organic Chemistry Class
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.3c01012openalex-snapshot
Accraspiroketides A-B, Phenylnaphthacenoid-Derived Polyketides with Unprecedented [6 + 6+6 + 6] + [5 + 5] Spiro-Architecture
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.4c00557openalex-snapshot
Total Synthesis and Anti-inflammatory Activity of Asperjinone and Asperimide C
inferred← citeshttps://doi.org/10.1021/acs.jnatprod.6b00799openalex-snapshot
Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision
inferred← citeshttps://doi.org/10.1021/acs.joc.2c01674openalex-snapshot
Trichopsistides A and B: Two Highly Oxygenated Pentacyclic Polyketides with Promising Inhibitory Effects on the NF-κB Signaling Pathway from the Fungus Trichoderma koningiopsis WZ-196
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c02434openalex-snapshot
Hyperfols A and B: Two Highly Modified Polycyclic Polyprenylated Acylphloroglucinols from Hypericum perforatum
inferred← citeshttps://doi.org/10.1021/acs.orglett.5b01284openalex-snapshot
Computer-Assisted Structure Elucidation of Black Chokeberry ( Aronia melanocarpa ) Fruit Juice Isolates with a New Fused Pentacyclic Flavonoid Skeleton
inferred← citeshttps://doi.org/10.1039/c4np00134fopenalex-snapshot
Dereplication: racing to speed up the natural products discovery process
inferred← citeshttps://doi.org/10.1039/d0np00021copenalex-snapshot
Molecules derived from the extremes of life: a decade later
inferred← citeshttps://doi.org/10.1039/d0ob02072aopenalex-snapshot
Two new seco-polycyclic polyprenylated acylphloroglucinol from Hypericum sampsonii
inferred← citeshttps://doi.org/10.1039/d2ob01851aopenalex-snapshot
Hyperpatone A, a polycyclic polyprenylated acylphloroglucinol with a rare 8/6/5/6/5 pentacyclic skeleton from Hypericum patulum
inferred← citeshttps://doi.org/10.1039/d3np00025gopenalex-snapshot
Machine learning-assisted structure annotation of natural products based on MS and NMR data
inferred← citeshttps://doi.org/10.1039/d3qo00902eopenalex-snapshot
Rapid screening of unprecedented sesquiterpenes with distinctive ring skeletons from Daphne aurantiaca employing an integrated strategy
inferred← citeshttps://doi.org/10.1039/d3qo01769aopenalex-snapshot
Isatin-based spiro indolenine alkaloids from Isatis indigotica Fortune with anti-neuroinflammatory and acetylcholinesterase inhibitory effects
inferred← citeshttps://doi.org/10.1080/14786419.2020.1777122openalex-snapshot
Structure reassignment of two triterpenes with CASE algorithms and DFT chemical shift predictions
inferred← citeshttps://doi.org/10.3390/md19060327openalex-snapshot
Malabaricane and Isomalabaricane Triterpenoids, Including Their Glycoconjugated Forms
inferred← citeshttps://doi.org/10.3390/molecules27249066openalex-snapshot
Molecular Networking and Cultivation Profiling Reveals Diverse Natural Product Classes from an Australian Soil-Derived Fungus Aspergillus sp. CMB-MRF324
inferred← citeshttps://doi.org/10.9734/bjast/2015/15724openalex-snapshot
Validation of Structures of Novel Eudesmane Sesquiterpenes Using Scatter Plots
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