KAEMPFEROL-3-O-BETA-D-(2'-CIS-PARA-COUMAROYL)-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-3-O-BETA-D-(2'-CIS-PARA-COUMAROYL)-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

KAEMPFEROL-3-O-BETA-D-(2'-CIS-PARA-COUMAROYL)-GLUCOSIDE

IUPAC name

4-(5,7-dihydroxy-4-oxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-2-yl)phenyl (Z)-4-(4-hydroxyphenyl)but-3-enoate

SMILES

C1=CC(=CC=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC(C/C(=C(\C5=CC=C(C=C5)O)[H])[H])=O

General information

Molecular formula

C31H28O13

Molecular weight

608.55 g/mol

Monoisotopic mass

608.1530 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Eryngium campestre L. aerial parts -
Hohmann, J., Pall, Z., Gunther, G., Mathe, I. (1997). Flavonolacyl glycosides of the aerial parts of Eryngium campestre. Planta Med, 63(1), 96 doi:10.1055/s-2006-957620