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Salicin (PC000881)

Record Information
Version1.0
Creation date2015-10-09 22:33:12 UTC
Update date2017-01-19 02:36:40 UTC
FoodComEx IDPC000881
FoodDB RecordFDB023194
Chemical Information
NameSalicin
DescriptionSalicin is an alcoholic β-glycoside that contains D-glucose. Salicin is an anti-inflammatory agent that is produced from willow bark. Salicin is closely related in chemical make-up to aspirin and has a very similar action in the human body. When consumed by humans, Salicin is metabolized into salicylic acid. [HMDB]
CAS Number138-52-3
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
2-(Hydroxymethyl)phenyl hexopyranosidehmdb
2-(Hydroxymethyl)phenyl-b-D-glucopyranosideGenerator
2-(Hydroxymethyl)phenyl-beta-D-glucopyranosideChEBI
2-(Hydroxymethyl)phenyl-O-b-D-glucopyranosideGenerator
2-(Hydroxymethyl)phenyl-O-beta-D-glucopyranosideChEBI
2-(Hydroxymethyl)phenyl-O-β-D-glucopyranosideGenerator
2-(Hydroxymethyl)phenyl-β-D-glucopyranosideGenerator
2(Hydroxymethyl)phenyl-b-D-glucopyranosideGenerator
2(Hydroxymethyl)phenyl-beta-D-glucopyranosideChEBI
2(Hydroxymethyl)phenyl-β-D-glucopyranosideGenerator
D-(-)-SalicinChEBI
D-Salicinhmdb
delta-Salicinhmdb
O-(Hydroxymethyl)phenyl b-D-glucopyranosideGenerator
O-(Hydroxymethyl)phenyl beta-D-glucopyranosideChEBI
O-(Hydroxymethyl)phenyl β-D-glucopyranosideGenerator
Salicinhmdb
Salicinehmdb
Salicosidehmdb
Salicyl alcohol glucosidehmdb
Saligenin b-D-glucopyranosideGenerator
Saligenin beta-D-glucopyranosidehmdb
Saligenin beta-delta-glucopyranosidehmdb
Saligenin β-D-glucopyranosideGenerator
Saligenin-b-D-glucopyranosidehmdb
Saligenin-beta-D-glucopyranosidehmdb
Saligenin-beta-delta-glucopyranosidehmdb
Chemical FormulaC13H18O7
IUPAC name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
InChI IdentifierInChI=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
InChI KeyNGFMICBWJRZIBI-UJPOAAIJSA-N
Isomeric SMILESOC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
Average Molecular Weight286.2778
Monoisotopic Molecular Weight286.10525293
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPhenolic glycosides
Alternative Parents
Substituents
  • Phenolic glycoside
  • O-glycosyl compound
  • Phenoxy compound
  • Benzyl alcohol
  • Phenol ether
  • Monocyclic benzene moiety
  • Monosaccharide
  • Oxane
  • Benzenoid
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Aromatic alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci G933
AKSci J10775
AKSci HMDB0003546
Cayman Chemical 17357
Glentham GC4870
MetaSci HMDB0003546
Toronto Research Chemicals S087600