[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Internal ID | f7215caa-f825-4b2c-8124-05b6d0fa41ab |
Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine nucleotide sugars |
IUPAC Name | [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate |
SMILES (Canonical) | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O |
SMILES (Isomeric) | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
InChI | InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15-/m0/s1 |
InChI Key | YSYKRGRSMLTJNL-JSDFYWKGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H26N2O16P2 |
Molecular Weight | 564.30 g/mol |
Exact Mass | 564.07575674 g/mol |
Topological Polar Surface Area (TPSA) | 271.00 Ų |
XlogP | -5.50 |
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 | 97.49% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.67% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.84% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.62% | 85.14% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 92.05% | 80.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.47% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.37% | 93.04% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.02% | 96.61% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.68% | 89.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.46% | 92.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.07% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 85.96% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.82% | 99.23% |
CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 84.67% | 94.01% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.19% | 100.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.87% | 94.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.59% | 94.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.36% | 91.11% |
CHEMBL220 | P22303 | Acetylcholinesterase | 82.12% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.85% | 95.89% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.61% | 96.21% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.38% | 91.71% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.07% | 97.36% |
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 | 11169012 |
LOTUS | LTS0219958 |
wikiData | Q105361170 |