2-[5-(furan-3-yl)-2-methylpent-2-enoxy]-3-methyl-2H-furan-5-one

Details

• Internal ID: 6a8ca1d7-5a35-4109-8c82-4466c683846b
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: 2-[5-(furan-3-yl)-2-methylpent-2-enoxy]-3-methyl-2H-furan-5-one
• InChI: InChI=1S/C15H18O4/c1-11(4-3-5-13-6-7-17-10-13)9-18-15-12(2)8-14(16)19-15/h4,6-8,10,15H,3,5,9H2,1-2H3
• InChI Key: KCXINQXXLKVMEJ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30 g/mol
• Exact Mass: 262.12050905 g/mol
• Topological Polar Surface Area (TPSA): 48.70 Ų
• XlogP: 2.50

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
CHEMBL2581	P07339	Cathepsin D	94.89%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	91.87%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.42%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.44%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.12%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.36%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.44%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.24%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.20%	94.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.83%	95.89%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.80%	93.65%

Plants that contains it

• Ursinia nana

Cross-Links

• PubChem: 163079422
• LOTUS: LTS0121926
• wikiData: Q105138994