3-but-2-enyl-4-(2-hydroxypropyl)-2H-furan-5-one

Details

• Internal ID: 98115e90-12e6-4679-aa26-c8071bd95c1a
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: 3-but-2-enyl-4-(2-hydroxypropyl)-2H-furan-5-one
• InChI: InChI=1S/C11H16O3/c1-3-4-5-9-7-14-11(13)10(9)6-8(2)12/h3-4,8,12H,5-7H2,1-2H3
• InChI Key: PWZHEFFAUWAEMU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₃
• Molecular Weight: 196.24 g/mol
• Exact Mass: 196.109944368 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.10

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	95.58%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.37%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.34%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	90.89%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.01%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.87%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.91%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.02%	99.17%
CHEMBL4208	P20618	Proteasome component C5	81.74%	90.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.08%	90.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163063295
• LOTUS: LTS0136485
• wikiData: Q104195498