Glucotropaeolin

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.

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

Refs

1. "Isothiocyanates". Linus Pauling Institute, Oregon State University.