1,3-Dicaffeoylquinic acid

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 527871

CAS#: 19870-46-3

Description: 1,3-Dicaffeoylquinic acid is an inhibitor of taste receptors.

Chemical Structure

1,3-Dicaffeoylquinic acid
CAS# 19870-46-3

Theoretical Analysis

MedKoo Cat#: 527871
Name: 1,3-Dicaffeoylquinic acid
CAS#: 19870-46-3
Chemical Formula: C25H24O12
Exact Mass: 516.1268
Molecular Weight: 516.455
Elemental Analysis: C, 58.14; H, 4.68; O, 37.17

Price and Availability

Size Price Availability Quantity
5.0mg USD 670.0 2 Weeks
Bulk inquiry

Synonym: 1,3-Dicaffeoylquinic acid

IUPAC/Chemical Name: (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid


InChi Code: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

SMILES Code: O=C([C@@]1(OC(/C=C/C2=CC=C(O)C(O)=C2)=O)C[C@@H](OC(/C=C/C3=CC=C(O)C(O)=C3)=O)[C@H](O)[C@H](O)C1)O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 516.455 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.


Dilution Calculator

Calculate the dilution required to prepare a stock solution.

1: Marengo A, Fumagalli M, Sanna C, Maxia A, Piazza S, Cagliero C, Rubiolo P, Sangiovanni E, Dell'Agli M. The hydro-alcoholic extracts of Sardinian wild thistles (Onopordum spp.) inhibit TNFα-induced IL-8 secretion and NF-κB pathway in human gastric epithelial AGS cells. J Ethnopharmacol. 2018 Jan 10;210:469-476. doi: 10.1016/j.jep.2017.09.008. Epub 2017 Sep 13. PubMed PMID: 28916191.

2: Sitarek P, Skała E, Toma M, Wielanek M, Szemraj J, Skorski T, Białas AJ, Sakowicz T, Kowalczyk T, Radek M, Wysokińska H, Śliwiński T. Transformed Root Extract of Leonurus sibiricus Induces Apoptosis through Intrinsic and Extrinsic Pathways in Various Grades of Human Glioma Cells. Pathol Oncol Res. 2017 Jul;23(3):679-687. doi: 10.1007/s12253-016-0170-6. Epub 2016 Dec 28. PubMed PMID: 28032310.

3: Chen LX, Hu DJ, Lam SC, Ge L, Wu D, Zhao J, Long ZR, Yang WJ, Fan B, Li SP. Comparison of antioxidant activities of different parts from snow chrysanthemum (Coreopsis tinctoria Nutt.) and identification of their natural antioxidants using high performance liquid chromatography coupled with diode array detection and mass spectrometry and 2,2'-azinobis(3-ethylbenzthiazoline-sulfonic acid)diammonium salt-based assay. J Chromatogr A. 2016 Jan 8;1428:134-42. doi: 10.1016/j.chroma.2015.10.037. Epub 2015 Oct 19. PubMed PMID: 26521095.

4: Ju WZ, Zhao Y, Liu F, Wu T, Zhang J, Liu SJ, Zhou L, Dai GL, Xiong NN, Fang ZY. Clinical tolerability and pharmacokinetics of Erigerontis hydroxybenzene injection: results of a randomized phase I study in healthy Chinese volunteers. Phytomedicine. 2015 Feb 15;22(2):319-25. doi: 10.1016/j.phymed.2014.11.014. Epub 2015 Jan 22. PubMed PMID: 25765839.

5: Karaköse H, Jaiswal R, Deshpande S, Kuhnert N. Investigation of the photochemical changes of chlorogenic acids induced by ultraviolet light in model systems and in agricultural practice with Stevia rebaudiana cultivation as an example. J Agric Food Chem. 2015 Apr 8;63(13):3338-47. doi: 10.1021/acs.jafc.5b00838. Epub 2015 Mar 30. PubMed PMID: 25699645.

6: Han X, Dong X, Jiang WX, Huang P, Zhang WP, Tang C. [A method based on endogenous fluorescence determination for screening NAMPT inhibitors]. Zhejiang Da Xue Xue Bao Yi Xue Ban. 2014 May;43(3):319-26. Chinese. PubMed PMID: 24998656.

7: Wang L, Sweet DH. Interaction of Natural Dietary and Herbal Anionic Compounds and Flavonoids with Human Organic Anion Transporters 1 (SLC22A6), 3 (SLC22A8), and 4 (SLC22A11). Evid Based Complement Alternat Med. 2013;2013:612527. doi: 10.1155/2013/612527. Epub 2013 Mar 21. PubMed PMID: 23573138; PubMed Central PMCID: PMC3618943.

8: Sun Y, Ma X, Liu J. [Compounds from fraction with cardiovascular activity of Chrysanthemum indicum]. Zhongguo Zhong Yao Za Zhi. 2012 Jan;37(1):61-5. Chinese. PubMed PMID: 22741463.

9: Yang L, Su ZJ, Xu SJ, Wu JX, Chen LL, Zhou RL, Li X, Zeng X. [Simultaneous determination of 4 phenolic acids in cangerzi by ultra-performance liquid chromatography]. Yao Xue Xue Bao. 2010 Dec;45(12):1537-40. Chinese. PubMed PMID: 21351493.

10: Sonnante G, D'Amore R, Blanco E, Pierri CL, De Palma M, Luo J, Tucci M, Martin C. Novel hydroxycinnamoyl-coenzyme A quinate transferase genes from artichoke are involved in the synthesis of chlorogenic acid. Plant Physiol. 2010 Jul;153(3):1224-38. doi: 10.1104/pp.109.150144. Epub 2010 Apr 29. PubMed PMID: 20431089; PubMed Central PMCID: PMC2899911.

11: Guy PA, Renouf M, Barron D, Cavin C, Dionisi F, Kochhar S, Rezzi S, Williamson G, Steiling H. Quantitative analysis of plasma caffeic and ferulic acid equivalents by liquid chromatography tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2009 Dec 1;877(31):3965-74. doi: 10.1016/j.jchromb.2009.10.006. Epub 2009 Oct 8. PubMed PMID: 19879819.

12: Schram K, Miketova P, Slanina J, Humpa O, Taborska E. Mass spectrometry of 1,3- and 1,5-dicaffeoylquinic acids. J Mass Spectrom. 2004 Apr;39(4):384-95. PubMed PMID: 15103652.