Products 212891-05-9
CAS 212891-05-9 appears in our catalog under these names: (E)-Cynarin, Cynarin. Offered by: MedChemExpress, Chemat Brand. Available pack sizes: Get quote, on request.
1,3-dicaffeoylquinic acid is an alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. It has a role as a plant metabolite. It is a quinic acid and an alkyl caffeate ester. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a 1,3-dicaffeoylquinate.
Source: ChEBI
| Molecular formula | C25H24O12 |
|---|---|
| Molecular weight | 516.4 g/mol |
| IUPAC name | (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
| InChIKey | YDDUMTOHNYZQPO-RVXRWRFUSA-N |
| SMILES | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O |
Computed by PubChem (NCBI)