[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate
Internal ID | f35bbd80-a3a3-46eb-83ce-c53cc535fad5 |
Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine nucleotide sugars |
IUPAC Name | [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate |
SMILES (Canonical) | CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O |
InChI | InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1 |
InChI Key | ZOSQFDVXNQFKBY-OAOVJFGZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H26N2O15P2 |
Molecular Weight | 548.33 g/mol |
Exact Mass | 548.08084212 g/mol |
Topological Polar Surface Area (TPSA) | 251.00 Ų |
XlogP | -4.80 |
There are no found synonyms. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
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% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 92.55% | 80.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.31% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.08% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.28% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.39% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.24% | 85.14% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.06% | 93.04% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.02% | 97.36% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.88% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 86.94% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.84% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.78% | 86.33% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.56% | 91.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.42% | 94.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.26% | 93.40% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.86% | 91.11% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.84% | 100.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.86% | 96.61% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.30% | 92.50% |
CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.14% | 94.01% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.90% | 95.89% |
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.
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana |
PubChem | 162935806 |
LOTUS | LTS0053029 |
wikiData | Q105380692 |