KAEMPFEROL-4'-P-COUMAROYL-3-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-4'-P-COUMAROYL-3-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 90657184

Names and identifiers

Name

KAEMPFEROL-4'-P-COUMAROYL-3-GLUCOSIDE

IUPAC name

(2R,3S,4R,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate

SMILES

C1=CC(=CC=C1/C=C/C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O

General information

Molecular formula

C30H26O13

Molecular weight

594.53 g/mol

Monoisotopic mass

594.1373 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Fagus sylvatica L. bud -
Dietrichs, H.H., Schaich, E. (1963). Flavonol glucosides in the buds and leaves of rotbuche (Fagus sylvatica L.). Naturwissenschaften, 50, 478