{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.leonurine","code":"thing-q410290","url":"https://ver.cy/models/thing/q410290/","name":"leonurine","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":"Leonurine is a guanidine-containing alkaloid reported from plants of the genus Leonurus, chemically the ester of syringic acid and 4-guanidinobutan-1-ol.","purpose":"Enable an agent to identify leonurine, assess the identity and condition of a particular sample, and determine its suitability for a documented research use.","scope":{"in":["Leonurine molecular identity and reconciliation of chemical identifiers","Free-base identity and relationships to counterion-containing or solvated materials","Sample provenance, purity, concentration, and analytical confirmation","Condition-dependent solubility, physical state, and chemical stability","Form-specific biological evidence, handling classifications, and use restrictions"],"out":["Motherwort and other source plants as organisms or medicinal herbs","Botanical extracts and finished products containing leonurine","Manufacturing processes beyond their implications for sample provenance and impurities","Leonurine derivatives and metabolites as independently identified substances","Disease models, clinical treatment protocols, and patient-specific dosing"],"boundaries":[]},"distinguishingFeatures":["Confirm the connected structure of a syringic-acid ester with a four-carbon chain terminating in a guanidino group, rather than identifying leonurine from botanical origin alone. See [Cayman Chemical SDS](https://cdn.caymanchem.com/cdn/msds/26850m.pdf).","Check that the neutral parent identity matches C14H21N3O5 and CAS 24697-74-3; matching the formula alone does not establish molecular connectivity. See [Cayman Chemical SDS](https://cdn.caymanchem.com/cdn/msds/26850m.pdf).","Establish counterion identity and stoichiometry before treating material labelled leonurine hydrochloride or sulfate as equivalent to the neutral parent for mass-based calculations.","Require analytical separation and structural evidence to distinguish intact leonurine from related botanical constituents, synthetic impurities, and possible ester-cleavage products.","Treat a motherwort extract containing leonurine as a mixture, even when leonurine is its reported marker compound."],"structure":{"bundles":[{"id":"leonurine-identity-and-form","name":"Leonurine identity and form","description":"Recognize the parent molecule and distinguish the physical material supplied under its name.","layers":[{"id":"parent-structure","name":"Parent structure","description":"Establish identity through molecular connectivity and corroborated identifiers.","findings":[{"id":"connected-structure-confirmation","name":"Connected structure confirmation","description":"Record evidence that the sample contains the complete leonurine structure; an identifier or nominal mass alone is insufficient.","questions":[{"text":"Which verified structure representation defines leonurine, and which identifiers resolve to that same parent structure?","id":"connected-structure-confirmation-q01","kind":"definition"},{"text":"Which NMR, mass-spectrometric, or reference-standard comparisons confirm the proposed connectivity?","id":"connected-structure-confirmation-q02","kind":"measurement"}]}]},{"id":"counterions-and-material-boundaries","name":"Counterions and material boundaries","description":"Relate salts, solvates, and mixtures to the registered parent without silently equating them.","findings":[{"id":"parent-equivalent-basis","name":"Parent-equivalent basis","description":"Require explicit composition before converting a weighed preparation into an amount of leonurine.","questions":[{"text":"Does this material contain neutral leonurine, a specified salt, a solvate, or an unresolved combination?","id":"parent-equivalent-basis-q01","kind":"boundary"},{"text":"What measured assay, water content, and counterion stoichiometry support its parent-equivalent concentration?","id":"parent-equivalent-basis-q02","kind":"measurement"}]}]}]},{"id":"leonurine-provenance-and-quality","name":"Leonurine provenance and quality","description":"Determine whether a particular batch reliably represents leonurine at its stated grade.","layers":[{"id":"origin-and-reference-material","name":"Origin and reference material","description":"Capture extraction or synthesis provenance and the basis of identity certification.","findings":[{"id":"batch-evidence-chain","name":"Batch evidence chain","description":"Connect the sample to a lot-specific certificate and a traceable analytical reference.","questions":[{"text":"Was this batch synthesized or isolated, and what records establish that origin?","id":"batch-evidence-chain-q01","kind":"provenance"},{"text":"If isolated from a plant, which authenticated species, plant part, and isolation records support the attribution?","id":"batch-evidence-chain-q02","kind":"provenance"},{"text":"Which reference material and certificate establish the identity of the quantified leonurine peak?","id":"batch-evidence-chain-q03","kind":"measurement"}]}]},{"id":"assay-and-coexisting-substances","name":"Assay and coexisting substances","description":"Distinguish leonurine content from method-dependent purity and unidentified material.","findings":[{"id":"usable-leonurine-content","name":"Usable leonurine content","description":"Evaluate quantitative assay alongside residual solvents, water, related compounds, and unidentified peaks.","questions":[{"text":"Does the stated purity describe chromatographic area, quantitative mass fraction, or another basis?","id":"usable-leonurine-content-q01","kind":"measurement"},{"text":"Which impurities remain unresolved, and could their abundance affect the intended analytical or biological use?","id":"usable-leonurine-content-q02","kind":"action"}]}]}]},{"id":"leonurine-solution-state-and-stability","name":"Leonurine solution state and stability","description":"Track whether leonurine remains dissolved and chemically intact under actual working conditions.","layers":[{"id":"dissolution-and-speciation","name":"Dissolution and speciation","description":"Tie solution preparation to chemical form and measured conditions.","findings":[{"id":"verified-dissolved-concentration","name":"Verified dissolved concentration","description":"Record solvent, pH, temperature, equilibration time, and measured dissolved leonurine rather than relying solely on the weighed amount.","questions":[{"text":"What solubility measurement applies to this exact leonurine form in the intended medium?","id":"verified-dissolved-concentration-q01","kind":"measurement"},{"text":"After dilution into the working medium, does measured dissolved concentration agree with the intended concentration?","id":"verified-dissolved-concentration-q02","kind":"measurement"}]}]},{"id":"intact-ester-and-storage-history","name":"Intact ester and storage history","description":"Assess chemical integrity across storage, preparation, and experimental exposure.","findings":[{"id":"transformation-monitoring","name":"Transformation monitoring","description":"Treat cleavage of the ester linkage and other transformations as questions to test under relevant conditions, without assuming a degradation rate.","questions":[{"text":"How much intact leonurine remains after the actual storage and assay interval, and which new components appear?","id":"transformation-monitoring-q01","kind":"measurement"},{"text":"What evidence supports a retest interval or rejection threshold for this solid or solution preparation?","id":"transformation-monitoring-q02","kind":"action"},{"text":"Do thermal measurements represent melting, solvent loss, or decomposition of the specified material form?","id":"transformation-monitoring-q03","kind":"boundary"}]}]}]},{"id":"leonurine-evidence-and-use-decisions","name":"Leonurine evidence and use decisions","description":"Connect experimental claims and handling decisions to the tested material and applicable documentation.","layers":[{"id":"biological-attribution","name":"Biological attribution","description":"Evaluate what an experiment demonstrates about a specified leonurine preparation.","findings":[{"id":"form-and-exposure-matched-evidence","name":"Form and exposure matched evidence","description":"Record the tested form, concentration basis, vehicle, controls, and endpoint before transferring a biological claim to another sample.","questions":[{"text":"Was the reported effect measured using the parent, a specified salt, an extract, or a formulated product?","id":"form-and-exposure-matched-evidence-q01","kind":"boundary"},{"text":"Were intact leonurine exposure, vehicle effects, and cytotoxicity assessed sufficiently to interpret the endpoint?","id":"form-and-exposure-matched-evidence-q02","kind":"measurement"},{"text":"Does the evidence establish direct target interaction, an associated pathway change, or only an observed phenotype?","id":"form-and-exposure-matched-evidence-q03","kind":"definition"}]}]},{"id":"handling-and-use-status","name":"Handling and use status","description":"Apply dated, jurisdiction-specific documentation to the supplied preparation.","findings":[{"id":"documented-material-restrictions","name":"Documented material restrictions","description":"Cayman's leonurine SDS identifies skin, eye, and respiratory irritation hazards and restricts its product to research use; this is supplier-specific evidence. See [Cayman Chemical SDS](https://cdn.caymanchem.com/cdn/msds/26850m.pdf).","questions":[{"text":"Which current SDS and jurisdiction-specific classification apply to this supplier, material form, and preparation?","id":"documented-material-restrictions-q01","kind":"provenance"},{"text":"What handling controls and use restrictions follow from that documentation and the proposed operation?","id":"documented-material-restrictions-q02","kind":"action"},{"text":"Is an applicable occupational exposure limit established, or is its status explicitly unresolved?","id":"documented-material-restrictions-q03","kind":"definition"}]}]}]},{"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 leonurine 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 leonurine 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 leonurine 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 leonurine 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 leonurine 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 leonurine this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Describe leonurine as an alkaloid reported from motherwort plants and summarise published research.","Distinguish laboratory findings from proven clinical effects."],"mustNot":["Recommend leonurine or motherwort preparations as treatment for a person.","Claim medical benefits that have not been shown in human trials.","Advise use in pregnancy, where uterine effects are a concern.","Misrepresent the traditional knowledge it comes from."],"requiresHuman":["Any decision to take or give it for a health reason."]},"ethics":{"considerations":["Herbal products are often marketed with overstated claims, putting patients at risk.","Traditional medicine knowledge deserves respect and accurate attribution."],"affectedParties":["People using herbal remedies","Pregnant people","Traditional practitioners"]},"owners":{"steward":"Nobody owns the compound; suppliers answer for the identity of what they sell.","roles":[],"masterSystems":[]},"relations":[{"target":"Q11173","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.leonurine","Wikidata: Q410290 (https://www.wikidata.org/wiki/Q410290)"]},"properties":{"applicability":"required","items":["Parent identity and identifier agreement: Registry identity linked to verified structure, CAS, PubChem CID, and EC identifier where established","Material form: Neutral parent, specified salt, specified hydrate or solvate, or unresolved form","Leonurine assay: % mass fraction or mol/mol, with analytical method and dry or as-received basis","Impurity profile: Individual impurities in % or mg/kg, with detection limits and identification confidence","Dissolved leonurine concentration: µmol/L or mmol/L, specifying parent-equivalent basis, solvent, pH, temperature, and elapsed time","Solubility and ionization: mg/mL or mmol/L; pKa where measured; specified material form, medium, temperature, and method","Physical and thermal state: Solid or dissolved; characterized solid form; melting or decomposition temperature in °C with method","Chemical integrity over time: % intact leonurine remaining after a stated duration under recorded storage or assay conditions","Biological evidence context: Tested form and lot linked to assay, organism, exposure, endpoint, controls, and primary source","Handling and permitted-use status: Source-dated SDS classification, jurisdiction, exposure-limit status, and documented use restrictions"]},"recognition":{"applicability":"required","items":["As a pure substance it cannot be identified by sight; identity needs chemical analysis.","The source plants are tall herbs of the mint family with lobed leaves and whorls of small pink to purple flowers."]},"capabilities":{"applicability":"required","items":["Reconcile a labelled sample with the leonurine parent structure and flag unresolved salt or solvate identity.","Calculate parent-equivalent quantities using verified assay, counterion stoichiometry, and water content.","Compare batches using structural confirmation and impurity measurements.","Select documented dissolution and storage conditions and define when intact-compound remeasurement is needed.","Assess whether a biological result applies to the same chemical form and exposure conditions.","Determine whether proposed handling and research use meet documented material-specific requirements."]},"hazards":{"applicability":"required","items":["Products may contain variable or undeclared amounts of the compound.","Effects on the uterus make use in pregnancy a concern."]},"interfaces":{"applicability":"required","items":["Regulation (EC) No 1272/2008 on classification, labelling and packaging, issued by the European Parliament and the Council of the European Union, governs hazard assessment and applicable labelling requirements when leonurine is supplied as a chemical within its scope."]},"context":{"applicability":"required","items":["Leonurine is encountered in phytochemical investigations of plants in the genus Leonurus and in research using isolated or synthesized material.","It is studied in analytical chemistry and experimental pharmacology, where sample identity and composition matter for interpreting results."]}},"sources":[{"title":"Wikidata item Q410290: leonurine","url":"https://www.wikidata.org/wiki/Q410290","note":"identity and sense of the item"},{"title":"Wikipedia: Leonurine","url":"https://en.wikipedia.org/wiki/Leonurine","note":"general description of the item"}],"openQuestions":["Which authoritative records establish the parent PubChem CID, any applicable EC identifier, and separate identifiers for leonurine salts and solvates?","What reproducible measurements establish form-specific aqueous solubility, pKa, melting behavior, and decomposition conditions?","What degradation products and rates occur in relevant storage and assay media, particularly where ester cleavage is possible?","Which primary studies establish biological effects using verified leonurine identity, purity, and exposure, and which claims remain dependent on extracts or particular formulations?","What current jurisdiction-specific hazard classifications, exposure limits, and human-use authorizations, if any, apply to each material form?"],"resources":{"spec":"/models/things/publications/thing-q410290/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q410290/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T10:56:07Z","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}}