2-(Hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-7-yl]oxane-3,4,5-triol
| Internal ID | 31a9140e-bf78-4e75-836b-b497edc7c1de |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | 2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-7-yl]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCNC1=NC=NC2=C1N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO |
| SMILES (Isomeric) | CC(=CCNC1=NC=NC2=C1N(C=N2)C3C(C(C(C(O3)CO)O)O)O)CO |
| InChI | InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19) |
| InChI Key | HTDHRCLVWUEXIS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23N5O6 |
| Molecular Weight | 381.38 g/mol |
| Exact Mass | 381.16483347 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-7-yl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-6-4-hydroxy-3-methylbut-2-enylaminopurin-7-yloxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-7-yl]oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL3589 | P55263 | Adenosine kinase | 98.10% | 98.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.34% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.34% | 91.11% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.63% | 95.83% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.01% | 80.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.59% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.50% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.26% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.56% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.67% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.64% | 96.90% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.91% | 88.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.55% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.28% | 90.17% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.11% | 100.00% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 80.04% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.00% | 94.00% |
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 | 74413368 |
| LOTUS | LTS0267076 |
| wikiData | Q104667710 |