OXYBENZONE

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 95OOS7VE0Y

Structure
InChI Key DXGLGDHPHMLXJC-UHFFFAOYSA-N
Smile COc1ccc(C(=O)c2ccccc2)c(O)c1
InChI
InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O3
Molecular Weight 228.25
AlogP 2.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
None Sunscreen DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3250 - - 44
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 128

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34283
ChEMBL CHEMBL1625
DrugBank DB01428
DrugCentral 3412
EPA CompTox DTXSID3022405
FDA SRS 95OOS7VE0Y
Human Metabolome Database HMDB0015497
KEGG C14285
PharmGKB PA164742933
PubChem 4632
SureChEMBL SCHEMBL15551
ZINC ZINC000000136138
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