(2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-[[(3S)-4-hydroxy-3-methylbutyl]amino]purin-9-yl]oxolane-3,4-diol
Internal ID | 82e13f46-0609-495a-ac6c-9d523fe1d60a |
Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides |
IUPAC Name | (2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-[[(3S)-4-hydroxy-3-methylbutyl]amino]purin-9-yl]oxolane-3,4-diol |
SMILES (Canonical) | CC(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO |
SMILES (Isomeric) | C[C@@H](CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)CO |
InChI | InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)/t8-,9-,11-,12-,15+/m0/s1 |
InChI Key | DBVVQDGIJAUEAZ-LIOLZPPRSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H23N5O5 |
Molecular Weight | 353.37 g/mol |
Exact Mass | 353.16991885 g/mol |
Topological Polar Surface Area (TPSA) | 146.00 Ų |
XlogP | 0.10 |
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 | 98.46% | 96.09% |
CHEMBL3589 | P55263 | Adenosine kinase | 97.83% | 98.05% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 94.39% | 95.93% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.10% | 94.73% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.77% | 93.10% |
CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 89.82% | 95.83% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.80% | 91.38% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.71% | 80.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.83% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.43% | 96.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.37% | 94.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.16% | 96.90% |
CHEMBL3979 | Q03181 | Peroxisome proliferator-activated receptor delta | 84.58% | 93.95% |
CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 83.55% | 96.67% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.31% | 91.11% |
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 82.88% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.84% | 95.89% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.34% | 98.46% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.71% | 99.23% |
CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.51% | 98.05% |
CHEMBL237 | P41145 | Kappa opioid receptor | 80.36% | 98.10% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.20% | 89.67% |
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 | 162966081 |
LOTUS | LTS0232288 |
wikiData | Q104974887 |