Xanthofusin

Details

• Internal ID: 2206eaa6-ec40-42c5-a2fc-82556f848336
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: (5E)-4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one
• InChI: InChI=1S/C8H8O4/c1-4(9)3-6-7(10)5(2)8(11)12-6/h3,10H,1-2H3/b6-3+
• InChI Key: UHBRGPQMMUQLOR-ZZXKWVIFSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₈O₄
• Molecular Weight: 168.15 g/mol
• Exact Mass: 168.04225873 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: -0.10

Synonyms

• 150671-08-2
• (5E)-4-hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one
• 2(5H)-Furanone, 4-hydroxy-3-methyl-5-(2-oxopropylidene)-, (E)-
• 3,4-dihydroxy-2-methyl-6-oxo-2,4-heptadienoic acid-gamma-lactone
• RefChem:195129
• (E)-4-Hydroxy-m-methyl-5-(2-oxopropylidene)-2(5H)-furanone
• (E)-3,4-Dihydroxy-2-methyl-6-oxo-2,4-heptadienoic acid-gamma-lactone
• CHEBI:214227
• AKOS006278743
• (5E)-4-hydroxy-3-methyl-5-(2-oxopropylidene)uran-2-one

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	92.29%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.62%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.88%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	85.30%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.70%	89.00%
CHEMBL2581	P07339	Cathepsin D	84.68%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 54697199
• LOTUS: LTS0126041
• wikiData: Q105272695