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Salicin

CAT: 0013-GTR19177063-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19177063-02Size:10 g
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Description
Salicin, a natural phenol β-glycoside derived from willow bark, is a research compound with established anti-inflammatory properties. It is widely used in pharmacological studies, including in vitro enzyme assays and in vivo models of inflammation, to investigate its mechanism of action and therapeutic potential.
CAS Number
138-52-3
Product Name Alternative
COX, D- (−) -Salicin, Salicin, Salicine, Salicoside
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience
Purity
98.00% (May vary between batches)
Solubility
Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:22 mg/mL (76.85 mM) ; DMSO:50 mg/mL (174.65 mM)
Smiles
O ([C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) C2=C (CO) C=CC=C2
Molecular Formula
C13H18O7
Molecular Weight
286.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Salicin

Salicin is an aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as a metabolite, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a prodrug. It is a member of benzyl alcohols, an aryl beta-D-glucoside and an aromatic primary alcohol. It is functionally related to a salicyl alcohol.

CAS Number138-52-3
PubChem CID439503
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Molecular FormulaC13H18O7
Molecular Weight286.28
XLogP-1.2
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity300
SMILES
C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChIKey
NGFMICBWJRZIBI-UJPOAAIJSA-N
Chemical Structure
2D Structure
2D structure of Salicin
CAS: 138-52-3
CID: 439503
Formula: C13H18O7
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP3-1.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass286.10525291
Monoisotopic Mass286.10525291
Topological Polar Surface Area120 Ų
Heavy Atom Count20
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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