Ikshusterol 3-O-glucoside | CAS:112137-81-2

Ikshusterol 3-O-glucoside

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Description:

Ikshusterol 3-O-glucoside has a potent snake-venom neutralizing capacity and it might be a potential molecule for the therapeutic treatment for snakebites.

Targets:

PLA2

In vitro:

Journal of Biomolecular Structure and Dynamics, 2017:1-35.

Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC.[Reference: WebLink]

Ikshusterol 3-O-glucoside was isolated from Clematis gouriana Roxb. ex DC. root. A structure of the isolated compound was determined on the basis of various spectroscopic interpretations (UV, NMR, FTIR, and GC-MS-EI). This structure was submitted in the PubChem compound database (SID 249494133).
METHODS AND RESULTS:
SID 249494133 was carried out by density functional theory calculation to observe the chemical stability and electrostatic potential of this compound. The absorption, distribution, metabolism, and excretion property of this compound was predicted to evaluate the drug likeness and toxicity. In addition, molecular docking, quantum polarized ligand docking, prime MMGBSA calculation, and induced fit docking were performed to predict the binding status of SID 249494133 with the active site of phospholipase A2 (PLA2) (PDB ID: 1A3D). The stability of the compound in the active site of PLA2 was carried out using molecular dynamics simulation. Further, the anti-venom activity of the compound was assessed using the PLA2 assay against Naja naja (Indian cobra) crude venom.
CONCLUSIONS:
The results strongly show that Ikshusterol 3-O-glucoside has a potent snake-venom neutralizing capacity and it might be a potential molecule for the therapeutic treatment for snakebites.

Ikshusterol 3-O-glucoside Description

Source:	The herbs of Urtica dioica
Solvent:	DMSO, Pyridine, Methanol, Ethanol, etc.
Storage:	Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 24 months(2-8C). Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20C. Generally, these will be useable for up to two weeks. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please email to: service@chemfaces.com
After receiving:	The packaging of the product may have turned upside down during transportation, resulting in the natural compounds adhering to the neck or cap of the vial. take the vial out of its packaging and gently shake to let the compounds fall to the bottom of the vial. for liquid products, centrifuge at 200-500 RPM to gather the liquid at the bottom of the vial. try to avoid loss or contamination during handling.

Product Name	Ikshusterol 3-O-glucoside
Price:
CAS No.:	112137-81-2
Catalog No.:	CFN99217
Molecular Formula:	C₃₅H₆₀O₇
Molecular Weight:	592.9 g/mol
Purity:	>=98%
Type of Compound:	Steroids
Physical Desc.:	Powder
Source:	The herbs of Urtica dioica
Solvent:	DMSO, Pyridine, Methanol, Ethanol, etc.
Download:	COA MSDS SDF Manual
Similar structural:	Comparison (Web) (SDF)
Guestbook:

Size /Price /Stock	10 mM * 100 uL in DMSO / Inquiry / In-stock 10 mM * 1 mL in DMSO / Inquiry / In-stock
Related Libraries	Steroids Compound Library

	1 mg	5 mg	10 mg	20 mg	25 mg
1 mM	1.6866 mL	8.4331 mL	16.8663 mL	33.7325 mL	42.1656 mL
5 mM	0.3373 mL	1.6866 mL	3.3733 mL	6.7465 mL	8.4331 mL
10 mM	0.1687 mL	0.8433 mL	1.6866 mL	3.3733 mL	4.2166 mL
50 mM	0.0337 mL	0.1687 mL	0.3373 mL	0.6747 mL	0.8433 mL
100 mM	0.0169 mL	0.0843 mL	0.1687 mL	0.3373 mL	0.4217 mL

CFN99351	Clerosterol glucoside	123621-00-1	574.8	C₃₅H₅₈O₆
CFN99480	22-Dehydroclerosterol glucoside	143815-99-0	572.8	C₃₅H₅₆O₆
CFN98000	Stigmasterol glucoside	19716-26-8	574.8	C₃₅H₅₈O₆
CFN98713	Daucosterol	474-58-8	576.9	C₃₅H₆₀O₆
CFN99866	Sitoindoside I	18749-71-8	815.3	C₅₁H₉₀O₇
CFN99217	Ikshusterol 3-O-glucoside	112137-81-2	592.9	C₃₅H₆₀O₇
CFN99824	alpha-Spinasterol glucoside	1745-36-4	574.8	C₃₅H₅₈O₆