{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.iridomyrmecin","code":"thing-q2016116","url":"https://ver.cy/models/thing/q2016116/","name":"iridomyrmecin","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":"Iridomyrmecin is a naturally occurring bicyclic monoterpenoid lactone of the iridoid family, found in insect secretions and associated with chemical defence and communication.","purpose":"Enable an agent to identify iridomyrmecin, assess the composition and condition of a specimen, and judge whether evidence supports its intended analytical or experimental use.","scope":{"in":["Molecular connectivity and explicit stereochemical identity associated with the registered name","Chemical purity, stereoisomer composition, concentration, and specimen provenance","Analytical identification against structurally appropriate reference materials","Physical properties, storage condition, and evidence of chemical change","Biological activity attributed to a defined iridomyrmecin specimen and assay","Substance-specific hazard evidence and identifiers relevant to handling"],"out":["Taxonomy, physiology, and population dynamics of organisms producing iridomyrmecin","Whole insect secretions and other mixtures containing iridomyrmecin","Manufacturing routes and laboratory synthesis procedures as independent processes","Related iridoids, including isoiridomyrmecin, as independently identified substances","Commercial formulations, pesticide products, and their authorization","Analytical instruments and biological assay systems themselves"],"boundaries":[]},"distinguishingFeatures":["Require the C10H16O2 formula together with iridomyrmecin connectivity: formula or nominal mass alone cannot establish identity. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/442427)","Confirm the terpene lactone identity instead of accepting a generic iridoid assignment. [ChEBI](https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A5967)","Resolve ring-fusion and substituent stereochemistry when distinguishing iridomyrmecin assignments from related iridolactones; published work demonstrates multiple stereoisomers on this skeleton. [Stereochemical identification study](https://pmc.ncbi.nlm.nih.gov/articles/PMC3458746/)","Distinguish enantiomeric assignments with suitable chiral evidence; an achiral chromatographic match alone does not settle absolute configuration.","Distinguish identified iridomyrmecin from a secretion merely reported to contain it by requiring compound-specific analytical evidence."],"structure":{"bundles":[{"id":"identity-and-stereochemical-boundary","name":"Identity and stereochemical boundary","description":"Establish what the registered name denotes and which structural assignments qualify.","layers":[{"id":"molecular-identity","name":"Molecular identity","description":"Connect the registry entry to a verifiable chemical structure.","findings":[{"id":"structure-controls-identifier-matching","name":"Structure controls identifier matching","description":"PubChem lists iridomyrmecin as C10H16O2 under CID 442427; the attached structure must be checked before treating that identifier as coextensive with this undefined registry entry. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/442427)","questions":[{"text":"Which explicit structure and stereochemical assignment does vr.tr.iridomyrmecin denote?","id":"structure-controls-identifier-matching-q01","kind":"definition"},{"text":"Which CAS, EC, PubChem, and ChEBI records match that assignment rather than a broader or different isomeric entity?","id":"structure-controls-identifier-matching-q02","kind":"boundary"}]}]},{"id":"stereoisomer-resolution","name":"Stereoisomer resolution","description":"Record configuration and distinguish named neighboring iridolactones.","findings":[{"id":"configuration-requires-explicit-evidence","name":"Configuration requires explicit evidence","description":"Record ring-fusion geometry and individual stereocenter assignments with a numbering convention, without treating optical-rotation sign as a complete configuration.","questions":[{"text":"What evidence establishes the ring fusion and relative or absolute configuration of this specimen?","id":"configuration-requires-explicit-evidence-q01","kind":"measurement"},{"text":"Does an unresolved, racemic, or differently configured specimen remain within this registry entry or require a relation to another identity?","id":"configuration-requires-explicit-evidence-q02","kind":"boundary"}]}]}]},{"id":"specimen-composition-and-authentication","name":"Specimen composition and authentication","description":"Determine what is present in a specimen and how its assignment was established.","layers":[{"id":"origin-and-composition","name":"Origin and composition","description":"Connect specimen history to measured chemical and stereochemical content.","findings":[{"id":"origin-does-not-prove-composition","name":"Origin does not prove composition","description":"Natural origin or a reported synthetic route provides provenance but does not replace specimen-level identity and purity measurements.","questions":[{"text":"Was this material isolated, synthesized, or purchased, and which batch and purification records identify it?","id":"origin-does-not-prove-composition-q01","kind":"provenance"},{"text":"What are its iridomyrmecin content, stereoisomer proportions, residual solvents, and other detected constituents?","id":"origin-does-not-prove-composition-q02","kind":"measurement"}]}]},{"id":"analytical-discrimination","name":"Analytical discrimination","description":"Evaluate whether the selected methods separate plausible alternative identities.","findings":[{"id":"reference-comparisons-need-discriminating-methods","name":"Reference comparisons need discriminating methods","description":"Research on iridomyrmecin stereoisomers combines structural characterization and chromatographic comparisons, including a cyclodextrin column; this supports recording the separation conditions and reference assignments. [Stereochemical identification study](https://pmc.ncbi.nlm.nih.gov/articles/PMC3458746/)","questions":[{"text":"Which NMR, mass-spectral, and retention comparisons support the proposed identity, and which authenticated standards were used?","id":"reference-comparisons-need-discriminating-methods-q01","kind":"measurement"},{"text":"Can the method resolve the relevant enantiomers and diastereomers, or must the assignment remain qualified?","id":"reference-comparisons-need-discriminating-methods-q02","kind":"action"}]}]}]},{"id":"physical-behavior-and-integrity","name":"Physical behavior and integrity","description":"Describe properties and changes that affect transfer, storage, and exposure.","layers":[{"id":"phase-and-distribution","name":"Phase and distribution","description":"Record thermal behavior and distribution between solvent, material, and headspace.","findings":[{"id":"properties-belong-to-defined-material","name":"Properties belong to defined material","description":"Attach phase, transition temperatures, solubility, and volatility measurements to stereoisomer composition, purity, and experimental conditions.","questions":[{"text":"What phase and melting or boiling behavior are measured for this assigned material at the stated pressure?","id":"properties-belong-to-defined-material-q01","kind":"measurement"},{"text":"What solubility or headspace measurements support its proposed solution preparation or airborne delivery?","id":"properties-belong-to-defined-material-q02","kind":"measurement"}]}]},{"id":"storage-and-change","name":"Storage and change","description":"Track whether storage or preparation changes the usable specimen.","findings":[{"id":"integrity-needs-before-and-after-evidence","name":"Integrity needs before-and-after evidence","description":"Treat loss, lactone hydrolysis, or stereochemical change as possibilities to investigate rather than established behavior under unspecified conditions.","questions":[{"text":"What temperature, light, moisture, solvent, pH, and container history accompanied any measured composition change?","id":"integrity-needs-before-and-after-evidence-q01","kind":"provenance"},{"text":"What reanalysis and acceptance criteria determine whether the specimen remains suitable for its intended use?","id":"integrity-needs-before-and-after-evidence-q02","kind":"action"}]}]}]},{"id":"biological-occurrence-and-effect","name":"Biological occurrence and effect","description":"Connect compound-specific occurrence and activity claims to their evidence.","layers":[{"id":"occurrence-attribution","name":"Occurrence attribution","description":"Distinguish detected iridomyrmecin from inferred presence or biosynthesis.","findings":[{"id":"occurrence-requires-compound-specific-identification","name":"Occurrence requires compound-specific identification","description":"An occurrence record identifies the sampled organism, anatomical source or secretion, collection conditions, and chemical assignment.","questions":[{"text":"Which organism, sex or life stage, tissue or secretion, and collection method produced the identified sample?","id":"occurrence-requires-compound-specific-identification-q01","kind":"provenance"},{"text":"Does the evidence establish detection, release, or biosynthesis, and which iridomyrmecin stereoisomer does it identify?","id":"occurrence-requires-compound-specific-identification-q02","kind":"boundary"}]}]},{"id":"activity-and-exposure","name":"Activity and exposure","description":"Bound biological claims by tested chemistry and assay conditions.","findings":[{"id":"repellency-is-stereochemistry-dependent","name":"Repellency is stereochemistry dependent","description":"A study of Leptopilina heterotoma reported stereochemistry-dependent repellent effects; its result supports recording the tested isomer rather than assigning universal activity to the name. [Chemical defense study](https://pubmed.ncbi.nlm.nih.gov/22477024/)","questions":[{"text":"Which stereoisomer composition, dose, target organism, exposure route, and endpoint produced the reported effect?","id":"repellency-is-stereochemistry-dependent-q01","kind":"measurement"},{"text":"Do isolated-compound controls support attribution to iridomyrmecin rather than another secretion component or mixture interaction?","id":"repellency-is-stereochemistry-dependent-q02","kind":"boundary"}]}]}]},{"id":"handling-and-use-evidence","name":"Handling and use evidence","description":"Determine which handling and use decisions are supported for the identified material.","layers":[{"id":"hazard-and-regulatory-identity","name":"Hazard and regulatory identity","description":"Match hazard documentation to the relevant substance and jurisdiction.","findings":[{"id":"hazard-records-must-match-the-material","name":"Hazard records must match the material","description":"Record verified classifications and exposure limits where available, including date and jurisdiction; keep unassessed status distinct from a documented assessment.","questions":[{"text":"Which current hazard documents apply to the exact iridomyrmecin identity, purity, and supplied form?","id":"hazard-records-must-match-the-material-q01","kind":"provenance"},{"text":"Are any GHS classifications or occupational exposure limits verified, and what evidence supports their applicability?","id":"hazard-records-must-match-the-material-q02","kind":"definition"}]}]},{"id":"fitness-for-intended-use","name":"Fitness for intended use","description":"Connect proposed work to chemical quality and available handling evidence.","findings":[{"id":"use-decisions-depend-on-specimen-and-task","name":"Use decisions depend on specimen and task","description":"Evaluate analytical calibration, biological experiments, and material transfer against their required identity confidence, composition, integrity, and handling information.","questions":[{"text":"What identity, stereochemical purity, concentration, and stability criteria must this specimen meet for the proposed task?","id":"use-decisions-depend-on-specimen-and-task-q01","kind":"action"},{"text":"Which missing chemical or hazard evidence prevents a supported decision about the proposed handling or use?","id":"use-decisions-depend-on-specimen-and-task-q02","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 iridomyrmecin 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 iridomyrmecin 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 iridomyrmecin 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 iridomyrmecin 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 iridomyrmecin 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 iridomyrmecin this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Describe iridomyrmecin and its role in insect chemical defence and communication.","Track samples in an authorized laboratory inventory with label and source."],"mustNot":["Collect ants or other insects for it beyond permitted or sustainable limits.","Use it to disrupt wild insect populations outside approved research.","Mislabel a sample or report its identity without analysis."],"requiresHuman":["Releasing it or related compounds into the environment in field studies."]},"ethics":{"considerations":["Insect chemical signals are part of ecosystems that field work can disturb.","Research claims should be traceable to sound analysis."],"affectedParties":["Insect populations","Researchers","Ecosystems where it occurs"]},"owners":{"steward":"Nobody owns the compound; the laboratory answers for each sample.","roles":[],"masterSystems":[]},"relations":[{"target":"Q105159253","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.iridomyrmecin","Wikidata: Q2016116 (https://www.wikidata.org/wiki/Q2016116)"]},"properties":{"applicability":"required","items":["Structure and identifier agreement: Explicit molecular structure linked to registry id, PubChem CID, ChEBI id, and verified CAS or EC identifiers where available","Stereochemical assignment: Absolute configuration with atom-numbering convention; relative configuration only; unresolved","Stereoisomer composition: Mole fraction or percent per assigned stereoisomer; enantiomeric or diastereomeric excess with calculation basis","Iridomyrmecin content: Mass fraction, mg/mL, or mol/L with calibration method and uncertainty","Analytical identity evidence: NMR assignments, mass spectra, chromatograms, chiral separation, and authenticated reference comparisons","Physical state and thermal behavior: Observed phase at stated temperature and pressure; melting or boiling interval in °C with method and specimen composition","Volatility and partitioning: Vapor pressure in Pa; headspace concentration; solubility in g/L for a named solvent and temperature","Specimen integrity: Unassessed; analytically unchanged; composition changed; identity no longer confirmed","Biological effect: Defined stereoisomer composition linked to organism, dose, delivery method, endpoint, controls, and uncertainty","Hazard evidence status: Documented classification; assessed without classification; conflicting evidence; unassessed"]},"recognition":{"applicability":"not-applicable","items":[]},"capabilities":{"applicability":"required","items":["Reconcile a named sample with a structure-specific chemical identity.","Select analytical comparisons capable of resolving the suspected stereoisomers.","Calculate sample quantities using measured content and composition.","Evaluate whether stored material still meets the requirements of an assay.","Compare biological findings only across compatible chemical assignments and exposure conditions.","Identify missing hazard or identity evidence before approving a proposed use."]},"hazards":{"applicability":"required","items":["Release in field work can disturb insect behaviour.","Mislabelled standards corrupt research results."]},"interfaces":{"applicability":"required","items":["The Globally Harmonized System of Classification and Labelling of Chemicals, issued by the United Nations, provides a framework for assessing and communicating chemical hazards where implemented."]},"context":{"applicability":"required","items":["Iridomyrmecin is encountered in chemical ecology research involving insect secretions, chemical defence and communication.","Analytical and experimental studies use it to investigate chemical identity, biological activity and differences between related compounds."]}},"sources":[{"title":"Wikidata item Q2016116: iridomyrmecin","url":"https://www.wikidata.org/wiki/Q2016116","note":"identity and sense of the item"},{"title":"Wikipedia: Iridomyrmecin","url":"https://en.wikipedia.org/wiki/Iridomyrmecin","note":"general description of the item"}],"openQuestions":["Does vr.tr.iridomyrmecin denote one absolute stereoisomer, a relative configuration including both enantiomers, or a broader naming convention?","Which CAS and EC identifiers are verified for that scope, and how should racemic material and named neighboring stereoisomers be related?","Which measured physical constants and storage-stability results are available for explicitly identified stereoisomers and purity grades?","Which biological occurrence and activity claims survive comparison of authenticated compounds, mixture controls, and equivalent exposure conditions?","What authoritative hazard classifications, exposure limits, and jurisdiction-specific substance records exist for the resolved identity?"],"resources":{"spec":"/models/things/publications/thing-q2016116/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q2016116/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T10:34:14Z","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":"not-applicable","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 2026-10-07T10:10:28+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass","interaction.recognition":"Iridomyrmecin has no reliable visual features that distinguish it from similar compounds, so identification requires analytical evidence."},"score":1.0}}