2-(Hydroxymethyl)-6-[6-[(3-hydroxyphenyl)methylamino]purin-9-yl]oxane-3,4,5-triol
| Internal ID | 51ed452a-c72c-4680-90f5-f08d77308161 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | 2-(hydroxymethyl)-6-[6-[(3-hydroxyphenyl)methylamino]purin-9-yl]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H21N5O6/c24-6-11-13(26)14(27)15(28)18(29-11)23-8-22-12-16(20-7-21-17(12)23)19-5-9-2-1-3-10(25)4-9/h1-4,7-8,11,13-15,18,24-28H,5-6H2,(H,19,20,21) |
| InChI Key | YNXKWFPNXBSGHP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21N5O6 |
| Molecular Weight | 403.40 g/mol |
| Exact Mass | 403.14918341 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[6-[(3-hydroxyphenyl)methylamino]purin-9-yl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-6-3-hydroxyphenylmethylaminopurin-9-yloxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[6-[(3-hydroxyphenyl)methylamino]purin-9-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.12% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.55% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.05% | 94.73% |
| CHEMBL3589 | P55263 | Adenosine kinase | 93.28% | 98.05% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 93.07% | 91.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.72% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.59% | 86.33% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 91.09% | 80.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.96% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.49% | 98.75% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 87.76% | 88.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.57% | 95.89% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.34% | 93.04% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.55% | 99.15% |
| CHEMBL3979 | Q03181 | Peroxisome proliferator-activated receptor delta | 82.82% | 93.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.29% | 93.10% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 81.65% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.58% | 93.03% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.23% | 95.83% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.26% | 93.81% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.00% | 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.
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| There are no matching plants. |
| PubChem | 73063013 |
| LOTUS | LTS0070052 |
| wikiData | Q105351149 |