Products for Research Use Only
RegisterLogin

Ikshusterol 3-O-glucoside

CAT: 0804-HY-N4016Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N4016Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ikshusterol 3-O-glucoside is a phytochemical that inhibits PLA2 from snake venoms[1].
CAS Number
112137-81-2
UNSPSC
12352005
Target
Phospholipase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ikshusterol-3-o-glucoside.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@]2([H])[C@@](CC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@]4(C)C(C[C@@H](O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CC4)=C1
Molecular Formula
C35H60O7
Molecular Weight
592.85
References & Citations
[1]Kankara I A, et al. Ethnomedicinal plants: A source of phytochemical compounds against snake venom PLA2s activity. Journal of Pharmacognosy and Phytochemistry, 2020, 9 (2) : 1270-1275.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ikshusterol 3-O-glucoside
CAS Number112137-81-2
PubChem CID13193018
IUPAC 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
Molecular FormulaC35H60O7
Molecular Weight592.8
XLogP6.6
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity954
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C(C)C
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
InChIKey
CPVAKQVYNLPUBL-MSLCHGNTSA-N
Chemical Structure
2D Structure
2D structure of Ikshusterol 3-O-glucoside
CAS: 112137-81-2
CID: 13193018
Formula: C35H60O7
MW: 592.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.8
XLogP36.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass592.43390425
Monoisotopic Mass592.43390425
Topological Polar Surface Area120 Ų
Heavy Atom Count42
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N4017Ikshusterol
HY-N12445-01Quercetin-3'-O-glucoside
HY-N0777-01Isorhamnetin-3-O-glucoside
HY-N12327-01Ombuin-3-O-glucoside
HY-N2473-01Methylnissolin-3-O-glucoside
HY-N2237-01Piceatannol 3'-O-glucoside
HY-N9128-01Medicarpin 3-O-glucoside
HY-N8194-01Syringetin-3-O-glucoside
HY-N12821-01Visamminol-3'-O-glucoside
HY-N2233-01Rhapontigenin 3'-O-glucoside

Alternative Products

CatalogName
MBS5787173Ikshusterol 3-O-glucoside
380488Ikshusterol
M39774Malvidin-3-O- (6-O-coumaroyl) glucoside-5-O-glucoside
FD157182Dihydrokaempferol-3-O-glucoside
MD44379-01Dihydroresveratrol 3-O-glucoside
TN6178Dihydrokaempferol 3-O-glucoside
TN4509Medicarpin 3-O-glucoside
TN2251-01Syringetin-3-O-glucoside
TN5110Taxifolin 3'-O-glucoside
T5711-01Methylnissolin-3-O-glucoside

Popular Products