compound 7 [PMID: 21334791]   Click here for help

GtoPdb Ligand ID: 8785

Compound class: Synthetic organic
Comment: Compound 7 is reported as a tyrosinase inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 80.92
Molecular weight 246.09
XLogP 2.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(c(c1)O)CCc1ccc(cc1O)O
Isomeric SMILES Oc1ccc(c(c1)O)CCc1ccc(cc1O)O
InChI InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2
InChI Key WKIFTWPZTZUMRN-UHFFFAOYSA-N
References
1. Tajima R, Oozeki H, Muraoka S, Tanaka S, Motegi Y, Nihei H, Yamada Y, Masuoka N, Nihei K. (2011)
Synthesis and evaluation of bibenzyl glycosides as potent tyrosinase inhibitors.
Eur J Med Chem, 46 (4): 1374-81. [PMID:21334791]