2-amino-7-hydroxy-3H-purin-6-one

Details

• Internal ID: 38339ef1-f3bb-4a76-9956-e25730340da7
• Taxonomy: Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > Purinones > Hypoxanthines
• IUPAC Name: 2-amino-7-hydroxy-3H-purin-6-one
• SMILES (Canonical): C1=NC2=C(N1O)C(=O)N=C(N2)N
• SMILES (Isomeric): C1=NC2=C(N1O)C(=O)N=C(N2)N
• InChI: InChI=1S/C5H5N5O2/c6-5-8-3-2(4(11)9-5)10(12)1-7-3/h1,12H,(H3,6,8,9,11)
• InChI Key: PIIRLHSJVLBMJN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₅N₅O₂
• Molecular Weight: 167.13 g/mol
• Exact Mass: 167.04432442 g/mol
• Topological Polar Surface Area (TPSA): 106.00 Ų
• XlogP: -0.50

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	95.62%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.59%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.45%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.04%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.74%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.31%	94.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	84.21%	93.10%
CHEMBL1937	Q92769	Histone deacetylase 2	82.32%	94.75%
CHEMBL1781	P11387	DNA topoisomerase I	82.12%	97.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.86%	95.56%
CHEMBL4208	P20618	Proteasome component C5	80.24%	90.00%

Plants that contains it

• Triphyophyllum peltatum

Cross-Links

• PubChem: 73069
• LOTUS: LTS0184501
• wikiData: Q105304128