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Record W4411002619 · doi:10.1021/acscentsci.5c00332

Asymmetric Total Synthesis of 4,9,10-Trihydroxyguaia-11(13)en-12,6-olide and Discovery of Its Anticancer Activity against Atypical Teratoid Rhabdoid Tumor

2025· article· en· W4411002619 on OpenAlexfundno aff
Hyejin Lee, Hongjun Jang, Hwan-Chun Myung, Angela Rivera, Anna Floyd Averette, Joseph Heitman, Jiyong Park, Deukjoon Kim, Hyoungsu Kim, Jiyong Hong

Bibliographic record

VenueACS Central Science · 2025
Typearticle
Languageen
FieldMedicine
TopicMicrobial Natural Products and Biosynthesis
Canadian institutionsnot available
FundersDivision of ChemistryNational Institute of Allergy and Infectious DiseasesInstitute for Basic ScienceKorea Health Industry Development InstituteNorth Carolina State UniversityNational Science Foundation Graduate Research Fellowship ProgramCanadian Institute for Advanced ResearchDuke UniversityUniversity of North Carolina at Chapel HillNational Institutes of HealthNational Science Foundation
KeywordsChemistryCancer researchStereochemistryComputational biologyMedicineBiology

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide The guaianolide family of sesquiterpene lactones is known for its distinctive structural features and diverse biological activities. 4,9,10-Trihydroxyguaia-11(13)en-12,6-olide, with an underdetermined absolute stereochemistry ( 1 or ent - 1 ), is a newly identified 6,12-guaianolide isolated from the genus Anvillea garcinii . Motivated by the potential biological activity of the natural product, we pursue its stereoselective synthesis. Starting from ( R )-limonene, an asymmetric total synthesis of 4α,9α,10α-trihydroxyguaia-11(13)en-12,6α-olide ( 1 ) is accomplished in 20 steps with an overall yield of 4%, utilizing key transformations such as stereoselective reductive epoxide opening and additions of methyl lithiopropiolate and allyl cuprate. Most significantly, preliminary biological testing uncovers new anticancer activity of 1 against rare and aggressive childhood atypical teratoid rhabdoid tumor (ATRT) and other cancer cell lines. We anticipate that our synthetic strategy will enable the development of chemical probes and derivatives derived from 1 for mechanism of action studies and anticancer drug discovery.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.004
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.254
Threshold uncertainty score0.580

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.004
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.002
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.007
GPT teacher head0.246
Teacher spread0.239 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations1
Published2025
Admission routes1
Has abstractyes

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