CAFFEOYLQUINIC-ACID

Structure

2D structure of CAFFEOYLQUINIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10155076

Names and identifiers

Name

CAFFEOYLQUINIC-ACID

IUPAC name

(3R,5R)-1-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-3,4,5-trihydroxycyclohexane-1-carboxylic acid

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

General information

Molecular formula

C16H18O9

Molecular weight

354.31 g/mol

Monoisotopic mass

354.0951 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Crepis sancta (L.) Bornm. subsp. nemausensis (P.Fourn.) Babc. root -
Phytochemical composition of the decoctions of Greek edible greens (Chórta) and evaluation of antioxidant and cytotoxic properties doi:10.3390/molecules23071541
Daucus carota L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.