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Home/Compounds/CAS 21967-41-9
Formula C21H18O11MW 446.4Research-use catalog entryCOA/SDS by request

Baicalin

CAS Number: 21967-41-9

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Loading RDKit molecule structure...
InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-NC21H18O11 | MW 446.4

Chemical Absolute Identifiers

CAS Number

21967-41-9

PubChem CID

64982

Molecular Formula

C21H18O11

Molecular Weight

446.4 g/mol

Exact Mass

446.084911

InChIKey

IKIIZLYTISPENI-ZFORQUDYSA-N

IUPAC Name

(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES String

C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)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

Baicalin (CAS 21967-41-9) is listed in the Advanced Chemicals portfolio, with molecular formula C21H18O11 and molecular weight 446. 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.

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Applications & Classification

Chemical BiologySynthetic 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: Lysine-specific histone demethylase 1A (Homo sapiens) — 4 assays; Replicase polyprotein 1ab (Severe acute respiratory syndrome coronavirus 2) — 15 assays; Prolyl endopeptidase (Homo sapiens) — 8 assays; Glyceraldehyde-3-phosphate dehydrogenase (Homo sapiens) — 11 assays; Angiotensin-converting enzyme 2 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Lysine-specific histone demethylase 1A

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 5.52

Experimental evidence source: ChEMBL

Replicase polyprotein 1ab

Severe acute respiratory syndrome coronavirus 2 · SINGLE PROTEIN · 15 qualifying assays · 5 documents · best pChEMBL 5.19

Experimental evidence source: ChEMBL

Prolyl endopeptidase

Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 2 documents · best pChEMBL 4.92

Experimental evidence source: ChEMBL

Glyceraldehyde-3-phosphate dehydrogenase

Homo sapiens · SINGLE PROTEIN · 11 qualifying assays · 1 documents · best pChEMBL 4.39

Experimental evidence source: ChEMBL

Angiotensin-converting enzyme 2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

PPE

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Stability / Reactivity

  • Reactivity.
  • Carbon monoxide, carbon dioxide.

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Baicalin

Names & Synonyms

Baicalein 7-O-glucuronideBaicalein 7-glucuronide7-D-Glucuronic acid-5,6-dihydroxyflavone5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
Show all synonyms
7-D-glucuronic acid-5,6-dihydroxy-flavonebeta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate(2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acidBaicalein 7-O-.beta.-D-glucuronide(2S,3S,4S,5R,6R)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid(2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidBaicaloside(2S,3S,4S,5R,6S)-6-[(4,6-dihydroxy-5-oxo-2-phenyl-5H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidBaicalin CRS0XE
External Identifiers
EC NUMBER: 606-866-1EC NUMBER: 633-784-3DSSTOX SUBSTANCE ID: DTXSID701346569CHEMBL ID: CHEMBL485818CHEBI ID: CHEBI:2981UNII: 347Q89U4M5KEGG ID: C10025METABOLOMICS WORKBENCH ID: 52991NCI THESAURUS CODE: C221865RXCUI: 1440261WIKIDATA ID: Q2879368Baicalein-7-O-glucuronide
Experimental Spectrum References
13C NMR SpectraATR-IR Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1016/j.bmc.2023.117362Isolation and identification of the new baicalin target protein to develop flavonoid structure-based therapeutic agents.DOI 10.1016/j.bmcl.2023.129491Inhibitory effect of γ-ray-modified hydroxymethylated baicalins on NO production.DOI 10.1016/j.ejmech.2023.115292Potential RNA-dependent RNA polymerase (RdRp) inhibitors as prospective drug candidates for SARS-CoV-2.DOI 10.1016/j.ejmech.2023.115629An overview of anti-SARS-CoV-2 and anti-inflammatory potential of baicalein and its metabolite baicalin: Insights into molecular mechanisms.DOI 10.1016/j.ejmech.2023.115726Natural products as potential lead compounds to develop new antiviral drugs over the past decade.DOI 10.1016/j.ejmech.2023.115772Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.DOI 10.1021/acs.jnatprod.3c00159Modulation of <i>in Vitro</i> SARS-CoV-2 Infection by <i>Stephania tetrandra</i> and Its Alkaloid Constituents.DOI 10.1039/d3md00399jThe evolution of small molecule enzyme activators.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

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Supplier Safety Data Sheet (SDS): By request

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Text Reference Cues

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Non-public related references

p-Nitrophenyl beta-D-glucuronideCAS 10344-94-2
2-Methoxycarbonylphenyl beta-D-glucopyranosideCAS 10019-60-0
FraxinCAS 524-30-1
(4xi)-alpha-D-xylo-Hexopyranuronosyl-(1->3)-(3xi)-2-(acetylamino)-2-deoxy-beta-D-ribo-hexopyranosyl-(1->4)-(5xi)-beta-D-xylo-hexopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-D-glucopyranoseCAS 9004-61-9
HelicideCAS 80154-34-3

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 118-75-2ChloranilCAS 174484-41-4TipranavirCAS 22204-53-1NaproxenCAS 3599-32-4Indocyanine GreenCAS 114-07-8ErythromycinCAS 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-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 21967-41-9

What are the key identifiers for Baicalin (CAS 21967-41-9)?

Baicalin is identified by CAS 21967-41-9, with molecular formula C21H18O11, molecular weight 446.4, InChIKey IKIIZLYTISPENI-ZFORQUDYSA-N.

Does CAS 21967-41-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Lysine-specific histone demethylase 1A, Replicase polyprotein 1ab, Prolyl endopeptidase, Glyceraldehyde-3-phosphate dehydrogenase, Angiotensin-converting enzyme 2. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 21967-41-9?

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

Can I request supplier SDS for Baicalin?

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Is CAS 21967-41-9 available for quotation?

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