ARBUTIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: C5INA23HXF

Structure
InChI Key BJRNKVDFDLYUGJ-RMPHRYRLSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Tyrosinase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 7
Enzyme Oxidoreductase
- 10400-100000 - - 0-33
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanosis 2 D008548 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 18305
ChEMBL CHEMBL232202
DrugBank DB11217
DrugCentral 4267
EPA CompTox DTXSID7040152
FDA SRS C5INA23HXF
KEGG C06186
PubChem 440936
SureChEMBL SCHEMBL36351
ZINC ZINC000000518554
CONTENTS