alpha-Arbutin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
alpha-Arbutin
DrugBank Accession Number
DB14109
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
Weight
Average: 272.253
Monoisotopic: 272.089602855
Chemical Formula
C12H16O7
Synonyms
  • Alpha Arbutin
  • alpha-D-Glucopyranoside, 4-hydroxyphenyl
  • α-Arbutin

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ULysosomal alpha-glucosidase
substrate
regulator
Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Derma Pella Intimate BrighteningCream10 mg/1gTopicalPella Pharmaceuticals Co. ltd2023-05-09Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Dark spot correctoralpha-Arbutin (2.5 g/100g) + Butylene glycol (5 g/100g) + Nicotinamide (3 g/100g) + Shea butter (1.2 g/100g)CreamTopicalShenzhen Weikemo Intelligent Technology CO.,LTD2020-03-30Not applicableUS flag
I-max Lightening 5alpha-Arbutin (2 g/100g) + Hydroquinone (2 g/100g) + Phenylethyl resorcinol (0.5 g/100g)CreamTopicalMaxlife Usa, Inc.2012-09-182013-02-01US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Dark spot correctoralpha-Arbutin (2.5 g/100g) + Butylene glycol (5 g/100g) + Nicotinamide (3 g/100g) + Shea butter (1.2 g/100g)CreamTopicalShenzhen Weikemo Intelligent Technology CO.,LTD2020-03-30Not applicableUS flag
Derma Pella Intimate Brighteningalpha-Arbutin (10 mg/1g)CreamTopicalPella Pharmaceuticals Co. ltd2023-05-09Not applicableUS flag

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
72VUP07IT5
CAS number
84380-01-8
InChI Key
BJRNKVDFDLYUGJ-ZIQFBCGOSA-N
InChI
InChI=1S/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+/m1/s1
IUPAC Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SMILES
OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

References

General References
Not Available
KEGG Compound
C12079
ChemSpider
139552
RxNav
1363429
ChEBI
29710
ChEMBL
CHEMBL226495
ZINC
ZINC000004102324

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical10 mg/1g
CreamTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility39.1 mg/mLALOGPS
logP-1.4ALOGPS
logP-0.9Chemaxon
logS-0.84ALOGPS
pKa (Strongest Acidic)9.82Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area119.61 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity62.16 m3·mol-1Chemaxon
Polarizability25.67 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-d3c0a963ca0ef079b7ca
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-05i0-1930000000-e29e0dd7d2eca1e1b9bc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ila-3980000000-45ec459692e824dd1fc3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-2930000000-80fa5a32cc3b0fbd8723
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01pa-9620000000-bc9247fb5ef8aefb83f5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9520000000-2e84b15d731a2e7dc181
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-168.0854929
predicted
DarkChem Lite v0.1.0
[M-H]-168.2292929
predicted
DarkChem Lite v0.1.0
[M-H]-158.94254
predicted
DeepCCS 1.0 (2019)
[M+H]+168.2174929
predicted
DarkChem Lite v0.1.0
[M+H]+167.9462929
predicted
DarkChem Lite v0.1.0
[M+H]+161.20743
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.8034929
predicted
DarkChem Lite v0.1.0
[M+Na]+166.4880929
predicted
DarkChem Lite v0.1.0
[M+Na]+168.41817
predicted
DeepCCS 1.0 (2019)

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
Regulator
General Function
Maltose alpha-glucosidase activity
Specific Function
Essential for the degradation of glygogen to glucose in lysosomes.
Gene Name
GAA
Uniprot ID
P10253
Uniprot Name
Lysosomal alpha-glucosidase
Molecular Weight
105322.935 Da
References
  1. Wang M, Wang M, Zhang F, Su X: A ratiometric fluorescent biosensor for the sensitive determination of alpha-glucosidase activity and acarbose based on N-doped carbon dots. Analyst. 2020 Aug 24;145(17):5808-5815. doi: 10.1039/d0an01065k. [Article]

Drug created at June 21, 2018 16:56 / Updated at June 28, 2022 01:31