ISOORIENTIN 4'-O-GLUCOSIDE-2''-FERULOYL

Structure

2D structure of ISOORIENTIN 4'-O-GLUCOSIDE-2''-FERULOYL
2D structure
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3D model

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

Names and identifiers

Name

ISOORIENTIN 4'-O-GLUCOSIDE-2''-FERULOYL

IUPAC name

(2S,4S,5S)-2-(5,7-dihydroxy-2-(3-hydroxy-4-(((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4-oxo-4H-chromen-6-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

SMILES

C1=CC(=C(C=C1C3=CC(=O)C2=C(C(=C(C=C2O3)O)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)OC(\C(=C(\C5=CC(=C(C=C5)O)OC)[H])[H])=O)O)O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O

General information

Molecular formula

C37H38O19

Molecular weight

786.69 g/mol

Monoisotopic mass

786.2007 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Cerastium arvense L. subsp. suffruticosum (L.) Ces. flower -
Dubois, M.A., Zoll, A., Chopin, J. (1985). Isomollupentin-o-glucosides from Cerastium arvense. Phytochemistry, 24(5), 1077-1080 doi:10.1016/s0031-9422(00)83186-6