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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol
Database Links Click here for help
ChEMBL Ligand CHEMBL499124
GtoPdb PubChem SID 252827443
PubChem CID 24849532
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