4-Hydroxy-2-(5-(hydroxymethyl)furan-2-ylmethylene)-5-methylfuran-3-one

Details

• Internal ID: cf9a419f-7bcf-434f-b080-3ad2d470228c
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones
• IUPAC Name: 4-hydroxy-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]-5-methylfuran-3-one
• InChI: InChI=1S/C11H10O5/c1-6-10(13)11(14)9(15-6)4-7-2-3-8(5-12)16-7/h2-4,12-13H,5H2,1H3
• InChI Key: ZJSKRMUGJUSLMQ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₅
• Molecular Weight: 222.19 g/mol
• Exact Mass: 222.05282342 g/mol
• Topological Polar Surface Area (TPSA): 79.90 Ų
• XlogP: 0.70

Synonyms

• 4-hydroxy-2-(5-(hydroxymethyl)furan-2-ylmethylene)-5-methylfuran-3-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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.09%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	93.29%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.57%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.38%	98.95%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	88.18%	83.57%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.85%	93.99%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.87%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.21%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.99%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 75053063
• LOTUS: LTS0133891
• wikiData: Q105378125