alpha-Xylofuranosyluracil

Details

• Internal ID: 1ae30ba5-8850-47a4-b6d0-534932eac5f5
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides
• IUPAC Name: 3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
• SMILES (Canonical): C1=CNC(=O)N(C1=O)C2C(C(C(O2)CO)O)O
• SMILES (Isomeric): C1=CNC(=O)N(C1=O)[C@@H]2[C@@H]([C@H]([C@H](O2)CO)O)O
• InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-5(13)1-2-10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,16)/t4-,6+,7-,8+/m1/s1
• InChI Key: NBNBAENCKIJZAH-APTPUMFKSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂N₂O₆
• Molecular Weight: 244.20 g/mol
• Exact Mass: 244.06953611 g/mol
• Topological Polar Surface Area (TPSA): 119.00 Ų
• XlogP: -2.30

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.37%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.83%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.65%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.37%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.30%	94.45%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.81%	86.92%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.99%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.44%	89.00%
CHEMBL3384	Q16512	Protein kinase N1	82.11%	80.71%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.05%	94.00%

Plants that contains it

• Amaranthus spinosus
• Combretum indicum

Cross-Links

• PubChem: 129636927
• LOTUS: LTS0256283
• wikiData: Q104399528