Identification

PhytoHub ID
PHUB000568
Name
Arbutin
Systematic Name
Not Available
Synonyms
  • Hydroquinone-beta-D-glucopyranoside
  • Quinol beta-D-glucoside
CAS Number
Not Available
Average Mass
272.253
Monoisotopic Mass
272.089602855
Chemical Formula
C12H16O7
IUPAC Name
β-arbutin
InChI Key
BJRNKVDFDLYUGJ-WLEIBRHLNA-N
InChI Identifier
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/s2
SMILES
OC[[email protected]]1O[[email protected]@H](OC2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
3.91e+01 g/l
LogS (ALOGPS)
-0.84
LogP (ALOGPS)
-1.36
Hydrogen Acceptors
7
Hydrogen Donors
5
Rotatable Bond Count
3
Polar Surface Area
119.61000000000001
Refractivity
62.164200000000015
Polarizability
26.07955285470758
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810923436865826
pKa (strongest acidic)
9.820455894002922
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

NameGroup
PearFruit, Pomes PublicationsShow
Sweet marjoramHerbs and Spices PublicationsShow
Wheat germCereals and cereal products PublicationsShow
Whole wheat breadCereals and cereal products PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Arbutin Hydroquinonehumanplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC6H6O2110.036779433 Publications
Arbutin Hydroquinone glucuronidehumanurineNot AvailableNot AvailableNot AvailableNot AvailableC12H14O8286.068867411 Publications
Arbutin Hydroquinone sulfatehumanurineNot AvailableNot AvailableNot AvailableNot AvailableC6H6O5S189.993594467 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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