NAV

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
3D
Similar Structures
Weight
Average: 272.253
Monoisotopic: 272.089602855
Chemical Formula
C12H16O7
Synonyms
  • Alpha Arbutin
  • alpha-D-Glucopyranoside, 4-hydroxyphenyl
  • α-Arbutin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

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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 Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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

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Details1. Lysosomal alpha-glucosidase
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