[4-Methoxy-2-(3-methyloxiran-2-yl)phenyl] 2,3-dimethyloxirane-2-carboxylate

Details

• Internal ID: c83cebec-59f2-413d-a779-1d801e490c33
• Taxonomy: Benzenoids > Phenol esters
• IUPAC Name: [4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2,3-dimethyloxirane-2-carboxylate
• InChI: InChI=1S/C15H18O5/c1-8-13(18-8)11-7-10(17-4)5-6-12(11)19-14(16)15(3)9(2)20-15/h5-9,13H,1-4H3
• InChI Key: GXMAJOKCDDQRID-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₅
• Molecular Weight: 278.30 g/mol
• Exact Mass: 278.11542367 g/mol
• Topological Polar Surface Area (TPSA): 60.60 Ų
• XlogP: 1.90

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.89%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.07%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.65%	86.33%
CHEMBL4208	P20618	Proteasome component C5	92.52%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.07%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.58%	99.17%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	88.50%	91.07%
CHEMBL340	P08684	Cytochrome P450 3A4	85.48%	91.19%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	85.42%	97.14%
CHEMBL2581	P07339	Cathepsin D	82.11%	98.95%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.35%	95.89%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.30%	100.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.15%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.13%	96.00%

Plants that contains it

• Pimpinella villosa

Cross-Links

• PubChem: 101673715
• LOTUS: LTS0137715
• wikiData: Q105023184