uracil-1-yl(-6d)b-Fruf1P

Details

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Internal ID c0e02f2b-e364-4201-8942-e96459157bd2
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses > Pentose phosphates
IUPAC Name [(2R,3S,4S,5R)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-2,3,4-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILES (Canonical) C1=CN(C(=O)NC1=O)CC2C(C(C(O2)(COP(=O)(O)O)O)O)O
SMILES (Isomeric) C1=CN(C(=O)NC1=O)C[C@@H]2[C@H]([C@@H]([C@](O2)(COP(=O)(O)O)O)O)O
InChI InChI=1S/C10H15N2O10P/c13-6-1-2-12(9(16)11-6)3-5-7(14)8(15)10(17,22-5)4-21-23(18,19)20/h1-2,5,7-8,14-15,17H,3-4H2,(H,11,13,16)(H2,18,19,20)/t5-,7-,8+,10-/m1/s1
InChI Key LJGCKWPHBRQGPT-PJGXCUNHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H15N2O10P
Molecular Weight 354.21 g/mol
Exact Mass 354.04643168 g/mol
Topological Polar Surface Area (TPSA) 186.00 Ų
XlogP -4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of uracil-1-yl(-6d)b-Fruf1P

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 96.33% 96.09%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 93.37% 94.01%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.77% 97.25%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.23% 94.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 91.23% 86.92%
CHEMBL2581 P07339 Cathepsin D 86.47% 98.95%
CHEMBL255 P29275 Adenosine A2b receptor 86.44% 98.59%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.25% 91.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.07% 94.45%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.62% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.37% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.18% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.06% 89.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.33% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.18% 95.89%

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.
Calceolaria andina
Cicer arietinum

Cross-Links

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PubChem 163189866
LOTUS LTS0249521
wikiData Q105181174