1-O-Caffeoylquinic Acid

1-O-Caffeoylquinic acid is a phenolic acid that has been found in C. scolymus. It binds to the NF-kappaB precursor protein p105 (Ki = 0.007 µM). 1-O-Caffeoylquinic acid also binds programmed cell death protein 1 (PD-1, KD = 12.4 µM) and inhibits the protein-protein interaction between PD-1 and PD ligand 1 (PD-L1, IC50 = 87.28 µM).Formal Name: (1alpha,3R,4alpha,5R)-1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-cyclohexanecarboxylic acid. CAS Number: 1241-87-8. Synonyms: 1-Caffeoylquinic Acid, 1-CQA. Molecular Formula: C16H18O9. Formula Weight: 354.3. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Acetone: soluble, Chloroform: soluble, Dichloromethane: soluble, DMSO: soluble, Ethyl Acetate: soluble. lambdamax: 220, 247, 333 nm. SMILES: OC(C=C1C=CC(O[C@]2(C[C@H]([C@H]([C@@H](C2)O)O)O)C(O)=O)=O)=C(C=C1)O. InChi Code: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/t11-,12-,14-,16+/m1/s1. InChi Key: GWTUHAXUUFROTF-NCZKRNLISA-N. Origin: Plant/Lonicera japonica.