Puerarin - Moligand™, ≥98% , Activator of TRPV4, CAS No.3681-99-0, Activator of TRPV4

CAS: 3681-99-0 Cat. No.: P111270 Formula: C21H20O9 Molecular Weight: 416.38 Beilstein Registry Number: 64198 EC Number: 609-296-1
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
AC1NQZ4N | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | BIDD:ER0101 | BRN 0064198 | SureCN8581666 | Z1494829516 | Z9W8997416 | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
Germany (EU)*
Price
Qty
1g
P111270-1g
3 In stock
—
$9.90
5g
P111270-5g
In stock ≥10
—
$14.90
25g
P111270-25g
Made to order · 8–12 wks
$49.90
100g
P111270-100g
Made to order · 8–12 wks
$159.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 70 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AC1NQZ4N | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | BIDD:ER0101 | BRN 0064198 | SureCN8581666 | Z1494829516 | Z9W8997416 | 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Isoflavone component of kudzu. Reduces anxiety symptoms associated with alcohol withdrawal.
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ACTIVATOR
Mechanism of action
Activator of TRPV4
Purity
≥98%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508816507
Canonical Smiles
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
IUPAC Name
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
InChIKey
HKEAFJYKMMKDOR-VPRICQMDSA-N
INCHI
1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
Isomeric SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
WGK Germany
3
RTECS
UO5216000
Alternate CAS
3681-99-0
MeSH Entry Terms
7,4'-dihydroxyisoflavone-8beta-glucopyranoside;kakonein;puerarin
Molecular Weight
416.38
Beilstein
64198
Reaxy-Rn
1359060
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1359060&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassIsoflavonoids
SubclassIsoflavonoid C-glycosides
Intermediate Tree Nodes Not available
Direct ParentIsoflavonoid C-glycosides
Alternative Parents Hydroxyisoflavonoids  Isoflavones  Phenolic glycosides  Hexoses  Chromones  C-glycosyl compounds  1-hydroxy-2-unsubstituted benzenoids  Pyranones and derivatives  Oxanes  Benzene and substituted derivatives  Heteroaromatic compounds  Secondary alcohols  Polyols  Oxacyclic compounds  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  Primary alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoflavonoid c-glycoside - Isoflavonoid-8-c-glycoside - Hydroxyisoflavonoid - Isoflavone - Phenolic glycoside - Hexose monosaccharide - C-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Polyol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
External Descriptors isoflavones - Isoflavonoids
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA12 Tclin Carbonic anhydrase 12 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA7 Tclin Carbonic anhydrase 7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FABP4 Tchem Fatty acid binding protein adipocyte (764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGLL Tchem Monoglyceride lipase (1909 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ca7 Carbonic anhydrase VII (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
3T3-L1 (3664 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

24 results found

Lot NumberCertificate TypeDateItem
H2625661Certificate of AnalysisAug 11, 2026 P111270
H2625658Certificate of AnalysisAug 11, 2026 P111270
H2625655Certificate of AnalysisAug 11, 2026 P111270
H2625654Certificate of AnalysisAug 11, 2026 P111270
J2226684Certificate of AnalysisAug 04, 2026 P111270
H2529563Certificate of AnalysisJun 19, 2025 P111270
H2529562Certificate of AnalysisJun 19, 2025 P111270
H2529561Certificate of AnalysisJun 19, 2025 P111270
H2529560Certificate of AnalysisJun 19, 2025 P111270
C2525452Certificate of AnalysisMar 14, 2025 P111270
C2525454Certificate of AnalysisMar 14, 2025 P111270
C2525447Certificate of AnalysisMar 14, 2025 P111270
H2427466Certificate of AnalysisAug 15, 2024 P111270
H2427469Certificate of AnalysisAug 15, 2024 P111270
H2427465Certificate of AnalysisAug 15, 2024 P111270
D2412279Certificate of AnalysisMar 14, 2024 P111270
D2412277Certificate of AnalysisMar 14, 2024 P111270
D2412274Certificate of AnalysisMar 14, 2024 P111270
E2318807Certificate of AnalysisJan 10, 2023 P111270
E2318698Certificate of AnalysisJan 10, 2023 P111270
E2318669Certificate of AnalysisJan 10, 2023 P111270
J2226730Certificate of AnalysisOct 17, 2022 P111270
J2226731Certificate of AnalysisOct 17, 2022 P111270
J2226735Certificate of AnalysisOct 17, 2022 P111270
Chemical and Physical Properties
SolubilitySoluble in DMSO or DMF. Slightly soluble in water or ethanol
Sensitivityair & heat & Moisture sensitive
Melt Point(°C)187-189°C
Molecular Weight416.400 g/mol
XLogP30.000
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass416.111 Da
Monoisotopic Mass416.111 Da
Topological Polar Surface Area157.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity659.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Isoflavones
Mechanisms of Gut Microbial Enzyme-Mediated Metabolism of Glucuronide Conjugates and Drug Biotransformation
Mechanisms by Which Flavonoid Natural Products Regulate the Oxidative Stress-Inflammation Axis
Molecular Targets, Mechanisms of Action, and Research Applications of Natural Products in the Regulation of Metabolic Disorders
Glycosidic Bond Structure and Cleavage Mechanisms—Chemical and Enzymatic Cleavage of O-, N-, S-, and C-Glycosides
How Do Natural Products Regulate the Gut–Brain Axis and Metabolic Homeostasis?
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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