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

Details

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Internal ID a6dddfd5-854d-490d-bd90-0016a0ab6bd4
Taxonomy Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides > Pyrimidine 2-deoxyribonucleosides
IUPAC Name 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILES (Canonical) CC1=CN(C(=O)N(C1=O)C)C2CC(C(O2)CO)O
SMILES (Isomeric) CC1=CN(C(=O)N(C1=O)C)[C@H]2CC([C@H](O2)CO)O
InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7?,8-,9-/m1/s1
InChI Key JCVDICFLPGDHAT-CFCGPWAMSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C11H16N2O5
Molecular Weight 256.25 g/mol
Exact Mass 256.10592162 g/mol
Topological Polar Surface Area (TPSA) 90.30 Ų
XlogP -1.00

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]-3,5-dimethylpyrimidine-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 97.65% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.32% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.74% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.46% 98.95%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 91.91% 98.46%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.73% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.92% 89.00%
CHEMBL220 P22303 Acetylcholinesterase 84.80% 94.45%
CHEMBL5805 Q9NR97 Toll-like receptor 8 84.00% 96.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.87% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 81.31% 95.93%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.26% 86.92%

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 6419407
LOTUS LTS0125038
wikiData Q105125150