Isochlorogenic acid C (3,4-Dicaffeoylquinic acid; 4,5-Dicaffeoylquinic acid), which is a di-O-caffeoyl derivative of chlorogenic acid, is a well-known antioxidant from herbal plants and shows anti-viral effects against EV71.
Isochlorogenic acid C (3, 4-Dicaffeoylquinic acid; 4, 5-Dicaffeoylquinic acid), which is a di-O-caffeoyl derivative of chlorogenic acid, is a well-known antioxidant from herbal plants and shows anti-viral effects against EV71.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
This compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Solubility (25°C) In vitro DMSO: 100 mg/mL (193.62 mM);
DMSO(mg / mL) Max Solubility
10
DMSO(mM) Max Solubility
19.3629264166585
Molecular Weight
516.400 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
9
Exact Mass
516.127 Da
Monoisotopic Mass
516.127 Da
Topological Polar Surface Area
211.000 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
887.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
2
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
2
Covalently-Bonded Unit Count
1
References
1.Yu-Mei Zhao, Lv-Huan Wang, Si-Fan Luo, Qi-Qin Wang, Ruin Moaddel, Ting-Ting Zhang, Zheng-Jin Jiang. (2018) Magnetic beads-based neuraminidase enzyme microreactor as a drug discovery tool for screening inhibitors from compound libraries and fishing ligands from natural products. JOURNAL OF CHROMATOGRAPHY A, [PMID:30005943][10.1016/j.chroma.2018.07.031]
2.Yi-Long Ma, Zhi Li, Zheng-Fang Wu, Qian-Lan Wu, Xin Guo, Ya-Fang Shang, Kiran Thakur, Zhao-Jun Wei. (2024) Amelioration activity of the high bioaccessible chrysanthemum (Gongju) phenolics on alcohol-induced oxidative injury in AML-12 cells. FOOD CHEMISTRY, [PMID:38901347][10.1016/j.foodchem.2024.140092]
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