Products 1241-87-8
CAS 1241-87-8 appears in our catalog under these names: 1-Caffeoylquinic Acid, Cyclohexanecarboxylicacid, 1-Caffeoylquinic acid/ 99.16% (existing batch purity), (1α,3R,4α,5R)-1-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-3,4,5-trihydroxycyclohexane-1-carboxylic acid, 99.16% ,, 99.16% ,, 1-Caffeoylquinic acid (Standard). Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 250mg, 10mg, 1mg, 5mg, 25mg, 50mg, 2mg.
1-O-caffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with the 1-hydroxy group of ()-quinic acid. It has a role as a Camellia sinensis metabolite, an antioxidant, an antineoplastic agent and a NF-kappaB inhibitor. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid. It derives from a hydride of a (-)-quinic acid.
Source: ChEBI
| Molecular formula | C16H18O9 |
|---|---|
| Molecular weight | 354.31 g/mol |
| IUPAC name | trans-(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChIKey | GWTUHAXUUFROTF-AVXJPILUSA-N |
| 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 |
Computed by PubChem (NCBI)