Isochlorogenic acid A - analytical standard, Moligand™ , Channel blocker of TRPV3, CAS No.2450-53-5, Channel blocker of TRPV3

CAS: 2450-53-5 Cat. No.: I117946 Molecular Weight: 516.45 EC Number: 815-082-0

GRADE & PURITY Analytical standard, Moligand™

Synonyms

4-fluoro-phenyl-acetonitrile | AKOS032948323 | 3,5-dicaffeoyl quinic acid | 4-Fluorobenzaldhyde | A877898 | NCGC00390251-01 | 3,5-CQA | (1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid | 4-fluorobe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Isochlorogenic acid A is a phenolic acid found in the flowerbud of Lonicera japonica Thunb. It has been used in pharmacologic, as well as food and cosmetic, research.
An antioxidant that has been shown to have antiproliferative activity.

Specifications

Synonyms

4-fluoro-phenyl-acetonitrile | AKOS032948323 | 3, 5-dicaffeoyl quinic acid | 4-Fluorobenzaldhyde | A877898 | NCGC00390251-01 | 3, 5-CQA | (1S, 3R, 4R, 5R)-3, 5-Bis[(2E)-3-(3, 4-dihydroxyphenyl)prop-2-enoyloxy]-1, 4-dihydroxycyclohexanecarboxylic acid | 4-fluorobe

Specifications & Purity

analytical standard, Moligand™

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.

Grade

Analytical standard, Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of TRPV3

Names and Identifiers

• Canonical Smiles: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
• IUPAC Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
• InChIKey: KRZBCHWVBQOTNZ-RDJMKVHDSA-N
• INCHI: 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
• Isomeric SMILES: C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
• Molecular Weight: 516.45
• Reaxy-Rn: 11340190
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11340190&ln=

Associated Targets(Human)

TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (0 Activities)

Discover Target: TRPV3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Melt Point(°C): 170℃
• 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: 825.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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. Yanfang Wu, Xinsheng Wang, Jintao Xue, Enguo Fan.  (2017)  Plant Phenolics Extraction from Flos Chrysanthemi: Response Surface Methodology Based Optimization and the Correlation Between Extracts and Free Radical Scavenging Activity.  JOURNAL OF FOOD SCIENCE,  82  (11): (2726-2733).  [PMID:29023721] [10.1111/1750-3841.13916]

3. Yueyuan Chen, Ningtao Zhao, Jingru Song, Xiaojie Yan, Xiaohua Jiang, Fenglai Lu, Min Zhang, Dianpeng Li.  (2025)  Modification of Kudzu Starch with Food-Medicine Homology Extracts Alters Starch Digestion.  Journal of Future Foods,      [PMID:] [10.1016/j.jfutfo.2025.01.015]