| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1241-87-8 |
| Catalog No. | 2A-9026539 |
| Chinese Name | 1-咖啡酰奎宁酸 |
| Synonyms | Cyclohexanecarboxylicacid; 1-O-caffeoylquinic acid; 1-Kaffeylchinasaeure |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.31 |
| Purity | ≥95.0 (HPLC) |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 636.2±55.0 °C at 760 mmHg |
| Application | 1-Caffeoylquinic acid 1-Caffeoylquinic acid is a potent NF-κB inhibitor that shows high binding affinity to the RH domain of p105 with a Ki value of 0.002 μM and a binding energy of 1.50 Kcal/mol. 1-C |
| PubChem ID | 15148157 |
| MDL Number | MFCD10566609 |
| SMILES | O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C(O)=O)C[C@@H](O)[C@@H](O)[C@H](O)C2 |
| 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 |
| InChI Key | GWTUHAXUUFROTF-JUHZACGLSA-N |
| Beilstein/REAXYS | 3013403 |
| NACRES Code | NA.21 |
| UNSPSC | 41116107 |
| MSDS | msds/26539_1_1241_87_8.pdf |
| Transport Info | Product name: 1-caffeoylquinic acid |
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