4-[(4-Hydroxy-2,6-dimethylphenyl)methyl]-5,5-dimethyloxolan-2-one

Details

• Internal ID: 705b779c-b153-4655-ac69-ea60c4129bbe
• Taxonomy: Benzenoids > Phenols > Cresols > Meta cresols
• IUPAC Name: 4-[(4-hydroxy-2,6-dimethylphenyl)methyl]-5,5-dimethyloxolan-2-one
• InChI: InChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3
• InChI Key: JEUPLAJVBQWXMD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.00

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.67%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.44%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	91.26%	83.82%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.91%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.71%	95.56%
CHEMBL233	P35372	Mu opioid receptor	87.32%	97.93%
CHEMBL3401	O75469	Pregnane X receptor	87.14%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.30%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.09%	86.33%
CHEMBL4208	P20618	Proteasome component C5	83.60%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.15%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.01%	90.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.45%	97.09%
CHEMBL236	P41143	Delta opioid receptor	80.18%	99.35%

Plants that contains it

• Solanum lyratum

Cross-Links

• PubChem: 74817673
• LOTUS: LTS0211981
• wikiData: Q105126413