KAEMPFEROL-3-O-BETA-D-GLUCURONIDE

Structure

2D structure of KAEMPFEROL-3-O-BETA-D-GLUCURONIDE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5318759

Names and identifiers

Name

KAEMPFEROL-3-O-BETA-D-GLUCURONIDE

IUPAC name

(2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

SMILES

C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

General information

Molecular formula

C21H18O12

Molecular weight

462.36 g/mol

Monoisotopic mass

462.0798 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Agrimonia eupatoria L. subsp. eupatoria aerial parts 26 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Epilobium hirsutum L. - -
Barakat, H.H., Hussein, S.A.M., Marzour, M.S., Merfort, I., Linscheid, M., Nawwar, M.A.M. (1997). Polyphenolic metabolites of Epilobium hirsutum. Phytochemistry, 46(5), 935-941 doi:10.1016/s0031-9422(97)00370-1
Potentilla reptans L. leaf -
Harborne, J.B. (1965). Plant polyphenols-xiv. characterization of flavonoid glycosides by acidic and enzymic hydrolyses. Phytochemistry, 4, 107-120
Rubus idaeus L. subsp. idaeus fruit 1 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.