Brassicin, a naturally occurring flavonoid, has free radical scavenging activity.

Physicochemical Properties

Molecular Formula	C22H22O12
Molecular Weight	478.40
Exact Mass	478.111
CAS #	6743-96-0
PubChem CID	6455477
Appearance	White to yellow solid powder
Boiling Point	822.1±65.0 °C(Predicted)
LogP	0.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	34
Complexity	773
Defined Atom Stereocenter Count	5
SMILES	COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChi Key	YCUNOXSUHVGZRI-XMHBHJPISA-N
InChi Code	InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1
Chemical Name	3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Flavonoids from the grains of C1/R-S transgenic rice, the transgenic Oryza sativa spp. japonica, and their radical scavenging activities. J Agric Food Chem. 2013 Oct 30;61(43):10354-9.

Additional Infomation

Isorhamnetin 7-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a monomethoxyflavone, a monosaccharide derivative and a trihydroxyflavone. It is functionally related to a beta-D-glucose and an isorhamnetin. Isorhamnetin 7-glucoside has been reported in Zanthoxylum bungeanum, Sedum acre, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 66.67 mg/mL (139.36 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (5.23 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0903 mL	10.4515 mL	20.9030 mL
	5 mM	0.4181 mL	2.0903 mL	4.1806 mL
	10 mM	0.2090 mL	1.0452 mL	2.0903 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.