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Ikshusterol 3-O-glucoside

CAS# 112137-81-2

Ikshusterol 3-O-glucoside

Catalog No. BCN6001----Order now to get a substantial discount!

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Quality Control of Ikshusterol 3-O-glucoside

Number of papers citing our products

Chemical structure

Ikshusterol 3-O-glucoside

3D structure

Chemical Properties of Ikshusterol 3-O-glucoside

Cas No. 112137-81-2 SDF Download SDF
PubChem ID 13193018 Appearance Powder
Formula C35H60O7 M.Wt 592.9
Type of Compound Steroids Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name (2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)C(C)C
Standard InChIKey CPVAKQVYNLPUBL-MSLCHGNTSA-N
Standard InChI InChI=1S/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Source of Ikshusterol 3-O-glucoside

The herbs of Urtica dioica

Biological Activity of Ikshusterol 3-O-glucoside

DescriptionIkshusterol 3-O-glucoside has a potent snake-venom neutralizing capacity and it might be a potential molecule for the therapeutic treatment for snakebites.
TargetsPLA2
In vitro

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

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

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 Dilution Calculator

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Ikshusterol 3-O-glucoside Molarity Calculator

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Preparing Stock Solutions of Ikshusterol 3-O-glucoside

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
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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