3-methoxy-2-propan-2-yl-1-(6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl)-2H-pyrrol-5-one

Details

• Internal ID: c44842f7-9ff4-4066-ab86-191f6d4dca26
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid imides > N-substituted carboxylic acid imides
• IUPAC Name: 3-methoxy-2-propan-2-yl-1-(6,6,6-trichloro-3-methoxy-5-methylhex-2-enoyl)-2H-pyrrol-5-one
• InChI: InChI=1S/C16H22Cl3NO4/c1-9(2)15-12(24-5)8-14(22)20(15)13(21)7-11(23-4)6-10(3)16(17,18)19/h7-10,15H,6H2,1-5H3
• InChI Key: PXUALOWHEHOKSO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂Cl₃NO₄
• Molecular Weight: 398.70 g/mol
• Exact Mass: 397.061441 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.80

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.53%	94.45%
CHEMBL2581	P07339	Cathepsin D	96.57%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.31%	96.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	92.53%	89.34%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.88%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.97%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.54%	99.17%
CHEMBL4208	P20618	Proteasome component C5	84.97%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.60%	95.56%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.41%	100.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.12%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 3291170
• LOTUS: LTS0217456
• wikiData: Q105216414