7-demethylsuberosin CAS 21422-04-8

Introduction：Basic information about 7-demethylsuberosin CAS 21422-04-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

7-demethylsuberosin Basic information

• Product Name: 7-demethylsuberosin
• Synonyms: 7-demethylsuberosin;2H-1-Benzopyran-2-one,7-hydroxy-6-(3-Methyl-2-buten-1-yl)-;6-(Dimethylallyl)umbelliferone;7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one;Demethylsuberosin, 10 mM in DMSO;7-Hydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
• CAS: 21422-04-8
• MF: C14H14O3
• MW: 230.26
• Mol File: 21422-04-8.mol

7-demethylsuberosin Chemical Properties

• Melting point: 134-136℃
• Boiling point: 418.8±45.0 °C(Predicted)
• density: 1.203±0.06 g/cm3(Predicted)
• solubility: DMSO: 250 mg/ml
• form: A solid
• pka: 8.45±0.20(Predicted)
• color: White to off-white
• InChI: InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3
• InChIKey: FIDUIAPDSKSUGO-UHFFFAOYSA-N
• SMILES: C1(=O)OC2=CC(O)=C(C/C=C(/C)\C)C=C2C=C1

7-demethylsuberosin Usage And Synthesis

Chemical Properties

Yellow crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO. It comes from Korean Angelica sinensis and the Dai medicine Tripterygium wilfordii.

Uses

Demethylsuberosin (7-Demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai, and has anti-inflammatory activity[1].

Definition

ChEBI: A natural product found in Citropsis articulata.

References

[1] Yongfen Ma, et al. Anti-inflammatory Activities of Coumarins Isolated from Angelica gigas Nakai on LPS-stimulated RAW 264.7 Cells. J Food Sci Nutr Vol 14, p 179～187 (2009).
[2] Yang X, et al. Angelica decursiva exerts antihypertensive activity by inhibiting L-type calcium channel. J Ethnopharmacol. 2023 Sep 15;313:116527.
[3] Kang SY, et al. Neuroprotective coumarins from the root of Angelica gigas: structure-activity relationships. Arch Pharm Res. 2007 Nov;30(11):1368-73. DOI:10.1007/BF02977358