9-beta-D-Ribofuranosylxanthine

Details

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Internal ID 2b8e2d76-6d99-4f53-b851-188cfe51cb47
Taxonomy Nucleosides, nucleotides, and analogues > Purine nucleosides
IUPAC Name 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)
InChI Key UBORTCNDUKBEOP-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12N4O6
Molecular Weight 284.23 g/mol
Exact Mass 284.07568412 g/mol
Topological Polar Surface Area (TPSA) 146.00 Ų
XlogP -2.40

Synonyms

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.beta.-D-Ribofuranoside, xanthine-9
MFCD00005726
NSC-18930
1H-Purine-2,6-dione, 3,9-dihydro-9-.beta.-D-ribofuranosyl-
9-pentofuranosyl-3,9-dihydro-1H-purine-2,6-dione
SCHEMBL6676995
CHEMBL1880013
SCHEMBL21602879
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
UBORTCNDUKBEOP-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 9-beta-D-Ribofuranosylxanthine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 95.67% 96.09%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 92.81% 86.92%
CHEMBL3401 O75469 Pregnane X receptor 91.56% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.00% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.41% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.71% 94.45%
CHEMBL2424504 P29375 Lysine-specific demethylase 5A 84.00% 99.23%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 83.76% 80.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.46% 89.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.76% 90.08%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.72% 95.56%
CHEMBL2581 P07339 Cathepsin D 81.36% 98.95%
CHEMBL226 P30542 Adenosine A1 receptor 80.75% 95.93%
CHEMBL4523377 Q86WV6 Stimulator of interferon genes protein 80.16% 95.48%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Camellia sinensis

Cross-Links

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PubChem 1189
LOTUS LTS0045819
wikiData Q105269557