1-Caffeoylquinic-acid
AChE IC50 = 0.25 +/- 0.03 microM; BChE IC50 = 0.10 +/- 0.01 microM
General
Type : Natural, Antioxidant, Dihydroxyphenyl, Cinnamate
Chemical_Nomenclature : trans-(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
Canonical SMILES : C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)\/C=C\/C2=CC(=C(C=C2)O)O)O)O)O
InChI : 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)\/b4-2+\/t11-,12-,14?,16?\/m1\/s1
InChIKey : GWTUHAXUUFROTF-AVXJPILUSA-N
Other name(s) : RefChem:1092921 || Npc233393 || 1-Caffeoylquinic acid || 1-O-caffeoylquinic acid || 1-CQA
MW : 354.31
Formula : C16H18O9
CAS_number : 1241-87-8
PubChem : 10155076
UniChem : GWTUHAXUUFROTF-AVXJPILUSA-N
Target
Families : 1-Caffeoylquinic-acid ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
References (1)
| Title : Molecular Mechanistic Studies on Caffeoylquinic Acid Derivatives From Vaccinium dunalianum Wight as Dual-Target Inhibitors of AChE and BChE With In Vitro Inhibitory Evaluation and Molecular Docking - Han_2026_Chem.Biodivers_23_e03013 |
| Author(s) : Han KJ , Lv YX , Xie D , Zou LH , Jiang Q , Xie SD , Zhang YJ , Zhao P , Yang XQ , Wee SK |
| Ref : Chem Biodivers , 23 :e03013 , 2026 |
| Abstract : |
| PubMedSearch : Han_2026_Chem.Biodivers_23_e03013 |
| PubMedID: 42116632 |