ISOQUERCITRIN-2’'-GALLATE

Structure

2D structure of ISOQUERCITRIN-2’'-GALLATE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5480249

Names and identifiers

Name

ISOQUERCITRIN-2’'-GALLATE

IUPAC name

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

SMILES

C1=CC(=C(C=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)OC(C5=CC(=C(C(=C5)O)O)O)=O)O)O

General information

Molecular formula

C28H24O16

Molecular weight

616.48 g/mol

Monoisotopic mass

616.1064 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Euphorbia helioscopia L. subsp. helioscopia aerial parts -
Ahn, B.T., Lee, S.H., Ro, J.S., Lee, K.S. (1995). A chemotaxonomic study on Euphorbiaceae in Korea. Nat Prod Sci, 1(1), 86-98
Euphorbia maculata L. aerial parts -
Hatano, T., Yasuhara, T., Yoshihara, R., Ikegami, Y., Matsuda, M., Yazaki, K., Agata, I., Nishibe, S., Noro, T., Yoshizaki, M., Okuda, T. (1991). Inhibitory effects of galloylated flavonoids on xanthine oxidase. Planta Med, 57(1), 83-84 doi:10.1055/s-2006-960028