BENZYL-GLUCOSINOLATE

Structure

2D structure of BENZYL-GLUCOSINOLATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21600402

Names and identifiers

Name

BENZYL-GLUCOSINOLATE

IUPAC name

((Z)-2-phenyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate

SMILES

C1=CC=C(C=C1)C/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

General information

Molecular formula

C14H18NO9S2-

Molecular weight

408.43 g/mol

Monoisotopic mass

408.0428 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Alliaria petiolata (M.Bieb.) Cavara & Grande - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lepidium virginicum L. subsp. virginicum root -
Calzada, F., Barbosa, E., Cedillo-rivera, R. (2003). Antiamoebic activity of benzyl glucosinolate from Lepidium virginicum. Phytother Res, 17(6), 618-619 doi:10.1002/ptr.1210