ARBUTIN

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Synonyms
Status
Molecule Category Free-form
UNII C5INA23HXF
EPA CompTox DTXSID7040152

Structure

InChI Key BJRNKVDFDLYUGJ-RMPHRYRLSA-N
Smiles OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16O7
Molecular Weight 272.25
AlogP -1.43
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 119.61
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Tyrosinase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 6.63-9.16
Enzyme Oxidoreductase
- - - - -1.5-146.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103.74-113.42
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 0.1-32.65
Cricetulus griseus
- - - - 103.74-113.42
Electrophorus electricus
- - - - 9.16
Equus caballus
- - - - 6.63
Homo sapiens
- - - - 5.5-30
Mus musculus
- - - - 6.7-146.5

Target Conservation

Protein: Tyrosinase
Description: Tyrosinase
Organism : Homo sapiens
P14679 ENSG00000077498

Related Entries

Cross References

Resources Reference
ChEBI 18305
ChEMBL CHEMBL232202
DrugBank DB11217
DrugCentral 4267
FDA SRS C5INA23HXF
KEGG C06186
PubChem 440936
SureChEMBL SCHEMBL36351
ZINC ZINC000000518554
CONTENTS