2,6-diamino-5-(3,4,5-trihydroxyoxan-2-yl)oxy-1H-pyrimidin-4-one

Details

• Internal ID: 0c1d229e-96fa-41d8-8dbe-3fe594b6e9b6
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: 2,6-diamino-5-(3,4,5-trihydroxyoxan-2-yl)oxy-1H-pyrimidin-4-one
• InChI: InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17)
• InChI Key: VSPBJCAGAJBGKS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄N₄O₆
• Molecular Weight: 274.23 g/mol
• Exact Mass: 274.09133418 g/mol
• Topological Polar Surface Area (TPSA): 173.00 Ų
• XlogP: -3.70

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
CHEMBL4040	P28482	MAP kinase ERK2	95.75%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.80%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.04%	97.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.74%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.59%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.26%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.17%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.01%	99.23%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.73%	92.94%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.05%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.64%	95.56%

Plants that contains it

• Momordica charantia

Cross-Links

• PubChem: 131752741
• LOTUS: LTS0121669
• wikiData: Q105292414