{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.oleocanthal","code":"thing-q402613","url":"https://ver.cy/models/thing/q402613/","name":"oleocanthal","alternateNames":[],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"Oleocanthal is a phenolic secoiridoid found in virgin olive oil, structurally identified as the dialdehydic form of decarboxymethyl ligstroside aglycone and associated with the oil's characteristic throat pungency.","purpose":"Enable an agent to identify oleocanthal, assess the composition and condition of a sample, and decide whether its analytical quality and evidence support an intended use.","scope":{"in":["Oleocanthal molecular identity, stereochemical specification and verified identifier mappings","Isolated oleocanthal, reference standards and oleocanthal measured within a declared matrix","Concentration, purity, related compounds and analytical uncertainty","Physical state, solvent compatibility, storage history and chemical integrity","Evidence connecting a defined oleocanthal preparation to a measured biological or sensory endpoint","Preparation-specific handling requirements and jurisdiction-specific use status"],"out":["Olive oil composition, grading and authenticity except as context for oleocanthal measurements","Olive cultivation, harvesting and oil production processes","Independent models of oleacein, ligstroside, tyrosol and other related compounds","Complete synthesis and extraction process models","Clinical treatment decisions and dietary recommendations","Finished supplement formulations, branding and product-level health claims"],"boundaries":[]},"distinguishingFeatures":["Confirm the tyrosol-derived ester, phenolic group and dialdehyde structure; the molecular formula C17H20O5 alone does not establish identity. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/Oleocanthal)","Resolve stereochemistry: the naturally occurring negative-rotation enantiomer was assigned 3S,4E, so an unspecified or opposite enantiomer must not silently inherit that identity. [Stereochemical assignment study](https://pubmed.ncbi.nlm.nih.gov/16235961/)","Require analytical discrimination from oleacein and other olive-oil secoiridoids rather than accepting a total-phenolics result as an oleocanthal measurement. [Direct quantitative NMR study](https://pubs.acs.org/doi/10.1021/jf3032765)","Distinguish the target analyte from solvent-generated forms: water and methanol can alter the species detected during analysis. [LC-MS/MS method study](https://www.sciencedirect.com/science/article/pii/S0039914016307263)","Treat throat pungency as supporting sensory context rather than a selective identity or concentration test."],"structure":{"bundles":[{"id":"oleocanthal-identity","name":"Oleocanthal identity","description":"Establish which molecular and stereochemical entity the name denotes.","layers":[{"id":"structure-and-identifiers","name":"Structure and identifiers","description":"Connect the registry entry to an explicit chemical structure.","findings":[{"id":"verified-structure-mapping","name":"Verified structure mapping","description":"Record a structure-resolved identity and independently checked external identifiers.","questions":[{"text":"Which structural representation defines oleocanthal for this entry, including specified stereochemistry?","id":"verified-structure-mapping-q01","kind":"definition"},{"text":"Which CAS number, PubChem CID and EC number, if assigned, refer to exactly that structure?","id":"verified-structure-mapping-q02","kind":"provenance"}]}]},{"id":"stereochemistry-and-neighbors","name":"Stereochemistry and neighbors","description":"Separate molecular identity from closely related compounds and unresolved isomer mixtures.","findings":[{"id":"stereochemical-and-structural-discrimination","name":"Stereochemical and structural discrimination","description":"Require evidence distinguishing the stated oleocanthal form from opposite enantiomers, oleacein and precursor-related material.","questions":[{"text":"What evidence establishes absolute configuration, alkene geometry and enantiomeric composition of the sample?","id":"stereochemical-and-structural-discrimination-q01","kind":"measurement"},{"text":"Which analytical observations distinguish it from oleacein, ligstroside-related compounds and unresolved reaction products?","id":"stereochemical-and-structural-discrimination-q02","kind":"boundary"}]}]}]},{"id":"oleocanthal-material-quality","name":"Oleocanthal material quality","description":"Describe the actual preparation, its origin and its composition.","layers":[{"id":"origin-and-matrix","name":"Origin and matrix","description":"Trace the sample and identify what surrounds the oleocanthal.","findings":[{"id":"traceable-preparation","name":"Traceable preparation","description":"Link analytical and experimental records to a specific lot and preparation history.","questions":[{"text":"Does this record describe oleocanthal in an oil, an extract, an isolated preparation or a synthetic batch?","id":"traceable-preparation-q01","kind":"boundary"},{"text":"Which lot, isolation or synthesis record, certificate and preparation date establish its provenance?","id":"traceable-preparation-q02","kind":"provenance"}]}]},{"id":"content-and-impurities","name":"Content and impurities","description":"Separate oleocanthal content from co-extracted phenolics, solvents and other constituents.","findings":[{"id":"composition-fit-for-use","name":"Composition fit for use","description":"Define the amount and quality of oleocanthal available for the proposed measurement or experiment.","questions":[{"text":"What are the oleocanthal mass fraction or concentration and their measurement basis and uncertainty?","id":"composition-fit-for-use-q01","kind":"measurement"},{"text":"Which related phenolics, residual solvents, water or unidentified components could affect the intended use?","id":"composition-fit-for-use-q02","kind":"measurement"},{"text":"What composition criteria must this preparation meet before it can serve as a standard or assay material?","id":"composition-fit-for-use-q03","kind":"action"}]}]}]},{"id":"oleocanthal-analytical-assurance","name":"Oleocanthal analytical assurance","description":"Determine whether a reported oleocanthal result measures the intended analyte reliably.","layers":[{"id":"analyte-definition-and-preparation","name":"Analyte definition and preparation","description":"Specify the chemical forms included in a result and control preparation artifacts.","findings":[{"id":"defined-measurand","name":"Defined measurand","description":"Make explicit whether a result represents intact oleocanthal or an operationally defined sum of forms.","questions":[{"text":"Does the method report intact oleocanthal, selected interconverting forms or a result expressed as oleocanthal equivalents?","id":"defined-measurand-q01","kind":"definition"},{"text":"How do extraction solvent, water content, temperature and elapsed preparation time affect the measured species?","id":"defined-measurand-q02","kind":"measurement"}]}]},{"id":"selectivity-and-calibration","name":"Selectivity and calibration","description":"Assess whether qNMR or chromatographic results are selective, traceable and comparable.","findings":[{"id":"validated-content-result","name":"Validated content result","description":"Connect the reported concentration to appropriate standards, method performance and matrix validation.","questions":[{"text":"Which NMR signals or chromatographic and mass-spectral criteria selectively identify oleocanthal in this matrix?","id":"validated-content-result-q01","kind":"measurement"},{"text":"What calibration, recovery, quantification limit and uncertainty support the result?","id":"validated-content-result-q02","kind":"measurement"},{"text":"What differences in analyte definition or sample preparation must be resolved before comparing results from different methods?","id":"validated-content-result-q03","kind":"action"}]}]}]},{"id":"oleocanthal-condition-and-transformation","name":"Oleocanthal condition and transformation","description":"Assess physical condition and preservation of the intended chemical form.","layers":[{"id":"physical-and-solvent-behavior","name":"Physical and solvent behavior","description":"Record conditional properties relevant to dissolving, transferring and heating the material.","findings":[{"id":"conditional-physical-properties","name":"Conditional physical properties","description":"Use preparation-specific observations and distinguish measurements from predictions.","questions":[{"text":"What phase and solubility are observed at the stated temperature, solvent composition and concentration?","id":"conditional-physical-properties-q01","kind":"measurement"},{"text":"Which melting, boiling or decomposition observations are experimentally supported, and at what pressure and purity?","id":"conditional-physical-properties-q02","kind":"provenance"}]}]},{"id":"storage-and-chemical-change","name":"Storage and chemical change","description":"Track environmental exposure and changes in the oleocanthal profile.","findings":[{"id":"integrity-and-retest-decision","name":"Integrity and retest decision","description":"Determine whether the current material still meets the chemical specification used for its intended purpose.","questions":[{"text":"What temperature, light, oxygen, moisture and solvent exposures occurred between preparation and use?","id":"integrity-and-retest-decision-q01","kind":"provenance"},{"text":"What measurements distinguish solvent-derived forms from persistent degradation products and quantify remaining target analyte?","id":"integrity-and-retest-decision-q02","kind":"measurement"},{"text":"Which observed changes or elapsed storage periods trigger reanalysis or withdrawal from the intended use?","id":"integrity-and-retest-decision-q03","kind":"action"}]}]}]},{"id":"oleocanthal-evidence-and-use","name":"Oleocanthal evidence and use","description":"Connect observed effects and handling decisions to a defined preparation and applicable evidence.","layers":[{"id":"biological-and-sensory-evidence","name":"Biological and sensory evidence","description":"Preserve the conditions and limits of studies attributing an effect to oleocanthal.","findings":[{"id":"preparation-specific-effect","name":"Preparation-specific effect","description":"Distinguish a measured endpoint from broader claims about oils, supplements or human outcomes.","questions":[{"text":"Which preparation, concentration, exposure duration, controls and experimental system produced the reported biological or sensory effect?","id":"preparation-specific-effect-q01","kind":"provenance"},{"text":"Does the evidence isolate an oleocanthal effect from solvent effects, co-occurring phenolics and nonspecific toxicity?","id":"preparation-specific-effect-q02","kind":"boundary"},{"text":"What additional evidence is required before extending that observation to human exposure or a different formulation?","id":"preparation-specific-effect-q03","kind":"boundary"}]}]},{"id":"handling-and-permitted-use","name":"Handling and permitted use","description":"Resolve requirements for the actual isolated material, solution or mixture being handled.","findings":[{"id":"documented-use-constraints","name":"Documented use constraints","description":"Record verified classifications and explicit unknowns for the preparation and intended jurisdiction.","questions":[{"text":"Which current SDS, hazard classification and exposure limits apply to this oleocanthal preparation, and which remain unestablished?","id":"documented-use-constraints-q01","kind":"provenance"},{"text":"What containment, protective equipment, storage and disposal instructions follow from the preparation and its solvents?","id":"documented-use-constraints-q02","kind":"action"},{"text":"What documented status supports the intended research, food or other use in the relevant jurisdiction?","id":"documented-use-constraints-q03","kind":"action"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of oleocanthal this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of oleocanthal this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-real-world-use","name":"Real-world use","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these real-world use hold for the sense of oleocanthal this model covers, and on what evidence?","id":"evidence-real-world-use-q01","kind":"provenance"}]},{"id":"evidence-measurements","name":"Typical measurements","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these typical measurements hold for the sense of oleocanthal this model covers, and on what evidence?","id":"evidence-measurements-q01","kind":"provenance"}]},{"id":"evidence-failure-modes-and-hazards","name":"Failure modes and hazards","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these failure modes and hazards hold for the sense of oleocanthal this model covers, and on what evidence?","id":"evidence-failure-modes-and-hazards-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of oleocanthal this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Identify oleocanthal by name and its occurrence in virgin olive oil, citing sources.","Report research findings on its effects with their limits."],"mustNot":["Present research findings as proven health benefits of a particular oil.","Make health claims on olive oil labels that regulators have not authorized.","Recommend olive oil as a treatment for a particular person's condition."],"requiresHuman":["Making health claims in products sold to the public."]},"ethics":{"considerations":["Health claims add value to products; overstatement misleads buyers.","Producers of traditional olive oil rely on honest quality claims."],"affectedParties":["Consumers","Olive oil producers","Researchers"]},"owners":{"steward":"Nobody owns the substance; producers answer for products and claims.","roles":[],"masterSystems":[]},"relations":[{"target":"Q27259377","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.oleocanthal","Wikidata: Q402613 (https://www.wikidata.org/wiki/Q402613)"]},"properties":{"applicability":"required","items":["Structural and registry identity: Structure with stereochemistry; molecular formula; verified CAS, PubChem CID and EC mappings with source and date","Stereochemical composition: Absolute configuration; enantiomeric excess in %; isomer fractions in %; method","Sample matrix and provenance: Linked oil lot, extract, isolated batch, synthetic batch or reference-standard lot","Oleocanthal content: mg/kg for oil; mg/mL or µmol/L for solutions; stated basis, uncertainty and sampling date","Purity and impurity profile: Mass fraction in %; separately identified chromatographic area %; related compounds, residual solvents and water","Physical state and conditional constants: Observed phase; temperature in °C; pressure in kPa; solubility in a named solvent; measured thermal transitions or decomposition","Chemical integrity: Intact, transformed, degraded or unresolved; identified species and supporting measurements","Analytical validity: Method identity; recovery %; detection and quantification limits; precision %; uncertainty; calibration traceability","Biological evidence context: Linked study, preparation, endpoint, exposure, controls and experimental system","Handling and use status: Preparation-specific SDS; verified hazard classification; applicable exposure limits; jurisdiction, intended use and evidence date; unknown where unverified"]},"recognition":{"applicability":"required","items":["Not visible; measured by laboratory analysis of the oil.","Associated with a peppery throat sensation in fresh virgin olive oil."]},"capabilities":{"applicability":"required","items":["Match a candidate substance or standard to a verified oleocanthal structure and stereochemical specification.","Select and assess an analytical method for oleocanthal in a declared oil, extract or solvent matrix.","Compare lot concentrations after reconciling units, analyte definitions and uncertainty.","Assess whether storage or preparation has changed the material enough to require reanalysis.","Prepare a defined analytical or experimental solution using verified content and compatibility data.","Constrain biological interpretations and intended uses to the evidence available for the actual preparation."]},"hazards":{"applicability":"required","items":["Overstated health claims.","Variable content between oils misleading comparisons."]},"interfaces":{"applicability":"required","items":["The Nomenclature of Organic Chemistry recommendations issued by the International Union of Pure and Applied Chemistry apply to systematic naming of oleocanthal."]},"context":{"applicability":"required","items":["Oleocanthal occurs in virgin olive oil and contributes to the pungent sensation felt in the throat.","It is studied in food chemistry and biological research, where analytical measurements establish its identity and abundance in a sample."]}},"sources":[{"title":"Wikidata item Q402613: oleocanthal","url":"https://www.wikidata.org/wiki/Q402613","note":"identity and sense of the item"},{"title":"Wikipedia: Oleocanthal","url":"https://en.wikipedia.org/wiki/Oleocanthal","note":"general description of the item"}],"openQuestions":["Does vr.tr.oleocanthal explicitly denote the naturally occurring 3S,4E enantiomer, or should unspecified stereochemistry remain representable within this single entry?","Which CAS and EC identifiers are verified for the intended stereochemical identity, and which refer to less specifically defined material?","Which experimentally established physical constants and storage or retest intervals are available for purified oleocanthal under specified conditions?","What analyte definition and reference procedure best reconcile intact oleocanthal with solvent-derived forms across qNMR and chromatographic measurements?","What preparation-specific toxicology, human exposure evidence and jurisdictional determinations support uses beyond analytical and experimental research?"],"resources":{"spec":"/models/things/publications/thing-q402613/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q402613/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T11:44:43Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"filled","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-07T10:10:30+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass"},"score":1.0}}