MONOBENZONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1952)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D11AX13
UNII: 9L2KA76MG5

Structure
InChI Key VYQNWZOUAUKGHI-UHFFFAOYSA-N
Smile Oc1ccc(OCc2ccccc2)cc1
InChI
InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H12O2
Molecular Weight 200.24
AlogP 2.97
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosinase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Oxidoreductase
- 1019 - - 54
Enzyme Transferase
- - - - 7.945
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 988.8 - - 86.56-98.06
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 234422.88 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 3886 - 3854 -

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 103-16-2
ChEBI 34380
ChEMBL CHEMBL1388
DrugBank DB00600
DrugCentral 1834
EPA CompTox DTXSID2020717
FDA SRS 9L2KA76MG5
Human Metabolome Database HMDB0014738
Guide to Pharmacology 6830
KEGG C14244
PharmGKB PA164764582
PubChem 7638
SureChEMBL SCHEMBL35631
ZINC ZINC000000001748
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