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Silibinin

Also known as Silymarin I, Flavobin, Silybine, Silibinina

Silibinin, also known as Silybin or Silymarin I, is a defined flavonolignan with CAS 22888-70-6 and molecular formula C25H22O10. Miilex Chemicals presents it for research, analytical, formulation and chemical-development contexts where identity, composition and application-specific suitability are assessed.

Natural product derivative Flavonolignan compound
C₂₅H₂₂O₁₀
C₂₅H₂₂O₁₀

Product identity

CAS number
22888-70-6
Molecular formula
C25H22O10
Molecular weight
482.4 g/mol
Category
Natural product derivative
Subcategory
Flavonolignan compound
Common aliases
Silymarin I, Flavobin, Silybine

Product overview

What is Silibinin?

Silibinin, also called Silymarin I, Flavobin, Silybine, Silibinina and Silibinine, is a defined flavonolignan associated with milk thistle constituents. Its systematic name is (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one. Silibinin has CAS 22888-70-6, molecular formula C25H22O10 and molecular weight 482.4, providing a specific chemical identity for development and analytical work.

Silibinin contains multiple phenolic hydroxyl groups, a methoxy-substituted aromatic ring and a fused oxygen-containing framework characteristic of flavonolignans. These features influence polarity, hydrogen bonding and interactions with formulation solvents or carrier systems. As a plant-associated polyphenolic compound, Silibinin may show limited compatibility with purely aqueous systems and can require careful attention to dispersion, solvent selection, light exposure and oxidation-sensitive conditions during investigation.

Established interest in Silibinin spans natural-product chemistry, analytical reference work, pharmaceutical research and formulation development. It is commonly examined as a defined constituent or marker within milk-thistle-related materials, while researchers also study its molecular interactions and delivery behaviour. A stated use of Silibinin in research or formulation does not establish suitability for a particular product, route, population or regulatory purpose; those conclusions require application-specific evaluation.

Selection of Silibinin should begin with the intended analytical, synthetic, formulation or research objective rather than with a general botanical description. Teams may compare its identity and behaviour with related flavonolignans, mixtures or modified derivatives, because composition and solubility can differ substantially. Particular attention may be given to chemical form, isomeric composition, residual solvent expectations, assay design and compatibility with excipients or analytical media before technical adoption.

Technical profile

Product properties

Review the product identity and general physical profile before specifying the grade required for your operation.

IUPAC name
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Category
Natural product derivative
Subcategory
Flavonolignan compound
Molecular formula
C25H22O10
Molecular weight
482.4 g/mol

Uses and markets

Applications and industries

The correct product specification depends on the intended process, grade requirements and operating conditions.

Detailed product information

Detailed Silibinin product information

Silibinin identity and flavonolignan structure

Silibinin is a defined flavonolignan with CAS 22888-70-6, formula C25H22O10 and molecular weight 482.4. Its polyphenolic structure combines several hydroxyl groups with aromatic and oxygen-containing rings, making it relevant to natural-product analysis and formulation research. The name may appear alongside Silybin, Silymarin I, Flavobin, Silybine, Silibinina or Silibinine, although composition should always be established for the material under study.

The phenolic and heterocyclic features of Silibinin influence solvent response, hydrogen bonding and analytical retention. These characteristics help explain why researchers may compare aqueous, alcohol-containing, mixed-solvent and carrier-based systems during development. Silibinin should not automatically be treated as interchangeable with a silymarin mixture, another flavonolignan or a chemically modified derivative, because each material can present different composition and behaviour.

Analytical and formulation considerations for Silibinin

Silibinin analytical work commonly focuses on identity, chromatographic separation, related constituents and quantitative response. Method development may need to resolve Silibinin from other milk-thistle-associated compounds and account for solvent, wavelength, temperature and sample-preparation effects. The most informative procedure depends on the matrix and purpose, so a method suitable for a purified research material may not transfer directly to a botanical extract or finished formulation.

In formulation research, Silibinin can be evaluated through dispersion, solubilisation, encapsulation or carrier-interaction studies. Its low affinity for simple aqueous media may lead investigators toward cosolvents, lipid-associated systems, polymeric carriers or other delivery approaches, without implying that any one approach is universally appropriate. Comparative testing should consider chemical integrity, physical uniformity, release behaviour and compatibility with the intended excipient environment.

Silibinin compared with related milk-thistle materials

Silibinin is a defined flavonolignan, whereas silymarin generally refers to a broader mixture of related milk-thistle constituents. That distinction matters when interpreting analytical results, biological literature or formulation performance. A mixture may contain several flavonolignans and accompanying components, while Silibinin-focused work seeks to examine one principal chemical entity. Names used in commercial or scientific contexts can overlap, so structural and compositional confirmation remains important.

Compared with a related flavonolignan such as silydianin or a modified phospholipid-associated complex, Silibinin may differ in polarity, molecular organisation, dissolution behaviour and chromatographic response. These differences can alter how a material behaves in a solvent, carrier or analytical method. Direct substitution should therefore be supported by comparative data rather than inferred from shared botanical origin, similar naming or a broadly similar intended application.

Research use and responsible interpretation of Silibinin data

Silibinin is valuable in research because its defined structure allows investigators to connect molecular composition with analytical response, formulation behaviour and interactions with model systems. It may serve as a comparison compound in studies of flavonolignans, plant-derived polyphenols, delivery technologies or chemical stability. Such research relevance does not by itself establish a therapeutic effect, clinical outcome, or suitability for human or animal administration.

Interpretation of Silibinin results benefits from separating intrinsic compound behaviour from effects caused by a carrier, mixture, preparation method or experimental model. Researchers may examine concentration, solvent composition, exposure to light and oxygen, temperature, pH and contact surfaces when results vary. Conclusions should remain specific to the tested material and method, particularly when extrapolating between purified Silibinin, botanical extracts and formulated systems.

Frequently asked questions

Questions about Silibinin

What is Silibinin and how is it related to silymarin?

Silibinin is a defined flavonolignan identified by CAS 22888-70-6 and molecular formula C25H22O10. It is commonly associated with milk thistle chemistry and may also be called Silybin or Silymarin I. Silymarin, however, generally describes a broader mixture of related flavonolignans and other constituents rather than one single compound. This distinction affects analytical interpretation, composition and formulation behaviour. A material labelled with a botanical or mixture name should not automatically be treated as equivalent to Silibinin. Researchers should establish which chemical entity or mixture is being examined before comparing results, calculating content or transferring an application method.

Why can Silibinin be difficult to dissolve in water?

Silibinin contains several polar hydroxyl groups, but it also has aromatic rings and a relatively substantial polycyclic structure. The balance between hydrogen-bonding sites and hydrophobic surface can limit its simple aqueous solubility. Crystal packing and the physical state of the material may contribute as well. For that reason, development studies may investigate mixed solvents, lipid-associated systems, polymeric carriers, complexation or controlled dispersion approaches. These strategies are not interchangeable, and each can influence chemical stability, assay response and release behaviour. Solubility observations should therefore be recorded under defined conditions, including temperature, pH, solvent composition and equilibration time.

How does Silibinin differ from a milk thistle extract?

Silibinin represents one defined flavonolignan, while a milk thistle extract contains a variable collection of constituents whose proportions depend on the source material and processing approach. Extracts may include several related flavonolignans, other plant compounds and matrix components. Consequently, an extract and Silibinin can show different chromatographic profiles, solubility, colour, stability and interactions with formulation ingredients. A study using purified Silibinin may help investigate compound-specific behaviour, whereas an extract reflects combined-material behaviour. Results from one should not automatically be used to predict the performance, composition or analytical response of the other without comparative testing.

What analytical challenges can arise when measuring Silibinin?

Analytical measurement of Silibinin may require separation from closely related flavonolignans and other constituents found in botanical materials. Sample preparation can also affect recovery because the compound may respond differently to aqueous, alcoholic, mixed-solvent or carrier-based matrices. Researchers commonly consider chromatographic selectivity, detector response, calibration design, extraction efficiency and solution stability when developing a method. Light, temperature, oxygen exposure and contact with formulation components may influence observed results in some systems. A method developed for a relatively simple research solution may therefore require modification before it is applied to a complex extract, finished formulation or materials study.

Can Silibinin be used directly in any formulation?

No universal formulation suitability should be assumed for Silibinin. Its chemical structure, solubility profile and interactions with excipients can affect dispersion, uniformity, stability and release. Formulation researchers may explore lipid systems, polymeric carriers, encapsulation, cosolvents or other approaches, but the most appropriate strategy depends on the intended matrix and performance objective. Compatibility testing should examine the actual Silibinin material with the selected ingredients under relevant conditions. Particular attention may be needed for chemical integrity, physical changes, assay recovery and long-term behaviour. Use in a specific product or route requires separate technical, safety and regulatory assessment.

Why is comparison with related flavonolignans important?

Related flavonolignans can share botanical origin and broad structural features while differing in substitution pattern, stereochemistry, polarity, molecular organisation and analytical response. Those differences may affect dissolution, chromatographic retention, carrier interactions and observed performance in a formulation or model system. Comparing Silibinin with another flavonolignan can therefore clarify whether an outcome is compound-specific or characteristic of a broader chemical class. The comparison is especially important when literature uses overlapping names, when a mixture is treated as a single constituent, or when a modified complex is discussed. Structural identity and composition should guide interpretation rather than name similarity alone.

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