5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione

Details

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Internal ID 93b55180-0651-43c2-be11-630f9cf5a50d
Taxonomy Nucleosides, nucleotides, and analogues > Nucleoside and nucleotide analogues
IUPAC Name 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8-/m1/s1
InChI Key UVBYMVOUBXYSFV-WCTZXXKLSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14N2O6
Molecular Weight 258.23 g/mol
Exact Mass 258.08518617 g/mol
Topological Polar Surface Area (TPSA) 119.00 Ų
XlogP -2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione

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 97.58% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.36% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.09% 97.25%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 94.09% 86.92%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.49% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.15% 85.14%
CHEMBL220 P22303 Acetylcholinesterase 85.76% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.18% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 83.22% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.38% 99.23%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.49% 90.08%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 13941665
LOTUS LTS0154217
wikiData Q105279747