4356-52-9

Basic information

• Product Name: glucobrassicin
• Synonyms: glucobrassicin;3-INDOLYLMETHYLGLUCOSINOLATE;1-S-[1-(Sulfooxyimino)-2-(1H-indole-3-yl)ethyl]-1-thio-β-D-glucopyranose;1-Thio-β-D-glucopyranose 1-[N-(hydroxysulfonyloxy)-1H-indole-3-ethane-1-imidate];2-(1H-Indole-3-yl)-1-(sulfooxyimino)ethyl 1-thio-β-D-glucopyranoside;Indole-3-methyl glucosinolate;Sulfuric acid O-[1-(β-D-glucopyranosylthio)-2-(1H-indol-3-yl)ethylideneamino] ester
• CAS NO: 4356-52-9
• Molecular Formula: C16H19N2O9S2
• Molecular Weight: 447.4606
• Mol File: 4356-52-9.mol
• Article Data: 0

Chemical Properties

• Melting Point: 149-150 °C
• Appearance: /
• Density: 1.808 g/cm³
• PKA: -3.05±0.18(Predicted)
• CAS DataBase Reference: glucobrassicin(CAS DataBase Reference)
• NIST Chemistry Reference: glucobrassicin(4356-52-9)
• EPA Substance Registry System: glucobrassicin(4356-52-9)

Safety Data

• Hazardous Substances Data: 4356-52-9(Hazardous Substances Data)

Usage

Description

Glucobrassicin is an indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose with a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur. It is a naturally occurring compound found in cruciferous vegetables such as broccoli, cabbage, and Brussels sprouts.

Uses

Used in Pharmaceutical Industry:
Glucobrassicin is used as a pharmaceutical compound for its potential health benefits. It has been found to possess anti-cancer properties, as it can help in the prevention and treatment of various types of cancer. glucobrassicin is also being studied for its potential role in reducing inflammation and oxidative stress.
Used in Functional Foods:
Glucobrassicin is used as a functional food ingredient for its health-promoting properties. It can be incorporated into food products to enhance their nutritional value and provide additional health benefits to consumers. glucobrassicin is known to have antioxidant and anti-inflammatory effects, which can contribute to overall health and well-being.
Used in Cosmetics Industry:
Glucobrassicin is used as an ingredient in cosmetics for its potential skin health benefits. It can be incorporated into skincare products to help improve skin texture, reduce inflammation, and provide antioxidant protection. glucobrassicin's anti-inflammatory properties may also help in reducing the appearance of wrinkles and fine lines.
Used in Agricultural Industry:
Glucobrassicin is used in agriculture as a natural pesticide. It has been found to possess insecticidal properties, making it a potential alternative to synthetic chemical pesticides. glucobrassicin can help protect crops from pests and diseases, promoting healthy plant growth and increased crop yields.

InChI:InChI=1/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/p-1/b18-12+/t11-,13-,14+,15-,16+/m1/s1