1,5-Dicaffeoylquinic acid

1,5-Dicaffeoylquinic acid Structure
1,5-Dicaffeoylquinic acid structure
Common Name 1,5-Dicaffeoylquinic acid
CAS Number 30964-13-7 Molecular Weight 516.451
Density 1.6±0.1 g/cm3 Boiling Point 819.9±65.0 °C at 760 mmHg
Molecular Formula C25H24O12 Melting Point 225-227 °C
MSDS Chinese USA Flash Point 278.1±27.8 °C

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this st...

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

J. Med. Chem. 51 , 6740-51, (2008)

The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives, and the theoretical pr...

Natural product inhibitors of protein-protein interactions mediated by Src-family SH2 domains.

Bioorg. Med. Chem. Lett. 19 , 3305-9, (2009)

In this Letter, we report the natural products salvianolic acid A, salvianolic acid B, and caftaric acid as inhibitors of the protein-protein interactions mediated by the SH2 domains of the Src-family kinases Src and Lck, two established disease targets. More...

Novel inhibitors ofMycobacterium tuberculosisdTDP-6-deoxy-l-lyxo-4-hexulose reductase (RmlD) identified by virtual screening

Bioorg. Med. Chem. Lett. 21 , 7064-7, (2011)

The complex and highly impermeable cell wall of Mycobacterium tuberculosis (Mtb) is largely responsible for the ability of the mycobacterium to resist the action of chemical therapeutics. An L-rhamnosyl residue, which occupies an important anchoring position ...

Immuno-suppressive effect of blocking the CD28 signaling pathway in T-cells by an active component of Echinacea found by a novel pharmaceutical screening method.

J. Med. Chem. 49 , 1845-54, (2006)

AFTIR (after flowing through immobilized receptor) is a novel method for screening herbal extracts for pharmaceutical properties. Using AFTIR, we identified Cynarin in Echinacea purpurea by its selective binding to chip immobilized CD28, a receptor of T-cells...