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

Details

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Internal ID 0f5ceda9-27ea-4c45-b51a-ee5f64c092a0
Taxonomy Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides > Pyrimidine 2-deoxyribonucleosides
IUPAC Name 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14N2O5/c1-11-8(15)2-3-12(10(11)16)9-4-6(14)7(5-13)17-9/h2-3,6-7,9,13-14H,4-5H2,1H3/t6?,7-,9-/m1/s1
InChI Key ZTSLSWUGHMGGCM-QIEYWLDOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14N2O5
Molecular Weight 242.23 g/mol
Exact Mass 242.09027155 g/mol
Topological Polar Surface Area (TPSA) 90.30 Ų
XlogP -1.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-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 97.81% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.54% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.12% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.40% 95.56%
CHEMBL226 P30542 Adenosine A1 receptor 87.54% 95.93%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 87.41% 98.46%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.97% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.99% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.37% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.97% 97.09%
CHEMBL4208 P20618 Proteasome component C5 81.74% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.32% 89.00%

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 162965837
LOTUS LTS0058268
wikiData Q105383148