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Kaempferol-3-beta-O-glucuronide structure, CAS 22688-78-4

Kaempferol-3-beta-O-glucuronide

CAS Number22688-78-4

Synonyms5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl D-glucopyranosiduronic acid; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranosiduronic acid; Kaempferol 3-O-|A-D-glucuronide; Kaempferol-3-Glucuronide; Kaempferol 3-glucuronide

Molecular FormulaC21H18O12

Molecular Weight462.36

Purity≥95%

Density1.9±0.1 g/cm3

Boiling Point876.8±65.0 °C at 760 mmHg

Melting Point189-191 °C

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

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Cat. No.: 2A-9039054 Purity: ≥95%
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Quality Control of [ 22688-78-4 ] Purity: ≥95% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number22688-78-4
Catalog No.2A-9039054
Chinese Name山奈酚葡萄糖醛酸苷
Synonyms5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl D-glucopyranosiduronic acid; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranosiduronic acid; Kaempferol 3-O-|A-D-glucuronide; Kaempferol-3-Glucuronide; Kaempferol 3-glucuronide
Molecular FormulaC21H18O12
Molecular Weight462.36
Purity≥95
Density1.9±0.1 g/cm3
Boiling Point876.8±65.0 °C at 760 mmHg
Melting Point189-191 °C
Appearancepowder
Storage Condition?20°C
ApplicationKaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide) is a conjugated metabolite of kaempferol and has anti-inflammatory effects. Kaempferol 3-O-β-D-glucuronide significantly inhibits multiple pro
MDL NumberMFCD04039813
SMILESO(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O
InChI1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
InChI KeyFNTJVYCFNVUBOL-ZUGPOPFOSA-N
Hazard Symbolstransportation
MSDSmsds/39054_1_22688_78_4.pdf
BioactivityKaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Interleukin Related Research Areas >> Inflammation/Immunology References [1]. Khajuria V, et al. Kaempferol-3-o-β-d-glucuronate exhibit potential anti-inflammatory effect in LPS stimulated RAW 264.7 cells and mice model. Int Immunopharmacol. 2018;57:62-71. [2]. DuPont MS, et al. Absorption of kaempferol from endive, a source of kaempferol-3-glucuronide, in humans. Eur J Clin Nutr. 2004;58(6):947-954. Chemical & Physical Properties Density 1.9±0.1 g/cm3 Boiling Point 876.8±65.0 °C at 760 mmHg Melting Point 189-191 °C Molecular Formula C21H18O12 Molecular Weight 462.360 Flash Point 309.8±27.8 °C Exact Mass 462.079834 PSA 207.35000 LogP 2.30 Vapour Pressure 0.0±0.3 mmHg at 25°C Index of Refraction 1.789 InChIKey FNTJVYCFNVUBOL-ZUGPOPFOSA-N SMILES O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O Storage condition ?20°C
Use ofKaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Properties Name (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Synonym More Synonyms Kaempferol-3-beta-O-glucuronide Biological Activity Description Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Interleukin Related Research Areas >> Inflammation/Immunology References [2]. DuPont MS, et al. Absorption of kaempferol from endive, a source of kaempferol-3-glucuronide, in humans. Eur J Clin Nutr. 2004;58(6):947-954. Chemical & Physical Properties Molecular Formula C21H18O12 Exact Mass 462.079834 PSA 207.35000 Index of Refraction 1.789 InChIKey FNTJVYCFNVUBOL-ZUGPOPFOSA-N
Transport InfoProduct name: Purity: 99.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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