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Home/Compounds/CAS 22888-70-6
Formula C25H22O10MW 482.4Research-use catalog entryCOA/SDS by request

Silibinin

CAS Number: 22888-70-6

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Loading RDKit molecule structure...
InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-NC25H22O10 | MW 482.4

Chemical Absolute Identifiers

CAS Number

22888-70-6

PubChem CID

31553

Molecular Formula

C25H22O10

Molecular Weight

482.4 g/mol

Exact Mass

482.121297

InChIKey

SEBFKMXJBCUCAI-HKTJVKLFSA-N

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

SMILES String

COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Silibinin (CAS 22888-70-6) is listed in the Advanced Chemicals portfolio, with molecular formula C25H22O10 and molecular weight 482. 40 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Thyrotropin receptor (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; 3-hydroxyacyl-CoA dehydrogenase type-2 (Homo sapiens) — 2 assays; Tyrosinase (Agaricus bisporus) — 5 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.7

Experimental evidence source: ChEMBL

Thyrotropin receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.6

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5

Experimental evidence source: ChEMBL

3-hydroxyacyl-CoA dehydrogenase type-2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5

Experimental evidence source: ChEMBL

Tyrosinase

Agaricus bisporus · SINGLE PROTEIN · 5 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

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Accidental Release

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Silibinin

Names & Synonyms

Silymarin IFlavobinSilybineSilibinineSilliver
Show all synonyms
Silymarine ISilibininaSilibininumLegalon(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-dihydro-4H-chromen-4-oneSilibinin a-silibinin b mixt.(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-dihydro-4H-chromen-4-one(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(2R,3R)-3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-oneSilybinSilybin ASilibinin A(2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-oneSilibinin [INN]
External Identifiers
EC NUMBER: 245-302-5DSSTOX SUBSTANCE ID: DTXSID8026018CHEMBL ID: CHEMBL431701CHEMBL ID: CHEMBL9509CHEBI ID: CHEBI:9144UNII: 33X338MNE4DRUGBANK ID: DB09298KEGG ID: D08515METABOLOMICS WORKBENCH ID: 53434METABOLOMICS WORKBENCH ID: 74421NCI THESAURUS CODE: C152359NCI THESAURUS CODE: C222094PHARMGKB ID: PA166129539WIKIDATA ID: Q425702
Experimental Spectrum References
13C NMR SpectraATR-IR SpectraFTIR Spectra — Sigma-Aldrich Co. LLC.
Literature & Patent References
DOI 10.1021/acs.jnatprod.4c01484Anti-inflammatory and Hepatoprotective Iridoid Glycosides from the Roots of <i>Gomphandra mollis</i>.PMID 39947889Anti-inflammatory and Hepatoprotective Iridoid Glycosides from the Roots of <i>Gomphandra mollis</i>.DOI 10.1039/d4md00170bSynthesis and cytotoxic activity of madecassic acid-silybin conjugate compounds in liver cancer cells.PMID 39185454Synthesis and cytotoxic activity of madecassic acid-silybin conjugate compounds in liver cancer cells.DOI 10.1016/j.bmc.2022.116813Silybins are stereospecific regulators of the 20S proteasome.DOI 10.1016/j.ejmech.2022.114753Recent two-year advances in anti-dengue small-molecule inhibitors.PMID 35576657Silybins are stereospecific regulators of the 20S proteasome.PMID 36167010Recent two-year advances in anti-dengue small-molecule inhibitors.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
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Text Reference Cues

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Non-public related references

IsosilybinCAS 72581-71-6
Methyl 2,3-dihydro-1,4-benzodioxine-2-carboxylateCAS 3663-79-4
(6-Bromo-2,3-dihydro-1,4-benzodioxin-2-yl)methanolCAS 280752-78-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 72581-71-6IsosilybinCAS 142720-24-92-(4-Fluorophenyl)-N,N-dihexyl-1H-indole-3-acetamideCAS 169590-42-5CelecoxibCAS 50-65-7NiclosamideCAS 100643-71-8DesloratadineCAS 10083-24-6PiceatannolCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylate

RFQ questions for CAS 22888-70-6

What are the key identifiers for Silibinin (CAS 22888-70-6)?

Silibinin is identified by CAS 22888-70-6, with molecular formula C25H22O10, molecular weight 482.4, InChIKey SEBFKMXJBCUCAI-HKTJVKLFSA-N.

Does CAS 22888-70-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Tyrosyl-DNA phosphodiesterase 1, Thyrotropin receptor, Cytochrome P450 3A4, 3-hydroxyacyl-CoA dehydrogenase type-2, Tyrosinase. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 22888-70-6?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Silibinin?

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Is CAS 22888-70-6 available for quotation?

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