Glucotropaeolin

Glucotropaeolin

Names
IUPAC name 1-S-[(1E)-2-Phenyl-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
Other names Benzylglucosinolate
Identifiers
CAS Number	499-26-3
3D model (JSmol)	Interactive image
Beilstein Reference	61369
ChEBI	CHEBI:17127
ChemSpider	7827528
KEGG	C02153
PubChem CID	656498
CompTox Dashboard (EPA)	DTXSID10964467
InChI InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10+/t9-,11-,12+,13-,14+/m1/s1 Key: QQGLQYQXUKHWPX-BXLHIMNRSA-N
SMILES c1ccc(cc1)C/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Properties
Chemical formula	C14H19NO9S2
Molar mass	409.42 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Glucotropaeolin (benzylglucosinolate) is a glucosinolate found in cruciferous vegetables, particularly garden cress.^[1] Upon enzymatic activity, it is transformed into benzyl isothiocyanate (BITC). Isothiocyanates are being studied for their toxicity to cancer, which is more generally sensitive to toxins than healthy cells.

Refs[]