2-(Hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
| Internal ID | 436caf11-4ddc-418e-bd2f-3132746a854f |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides |
| IUPAC Name | 2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol |
| SMILES (Canonical) | C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20) |
| InChI Key | UGVIXKXYLBAZND-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19N5O5 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.13861872 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-5-6-4-hydroxyphenylmethylaminopurin-9-yloxolane-34-diol.jpg "2D Structure of 2-(Hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.39% | 93.10% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 97.28% | 91.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL3589 | P55263 | Adenosine kinase | 96.43% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.21% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.01% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.86% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.83% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 90.72% | 89.67% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.24% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.31% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.29% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.83% | 95.89% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.71% | 89.44% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.33% | 80.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.54% | 85.00% |
| CHEMBL1075145 | P55072 | Transitional endoplasmic reticulum ATPase | 84.03% | 98.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.96% | 95.83% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 83.05% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.30% | 98.75% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.08% | 93.04% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.55% | 98.46% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.48% | 95.48% |
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.
| Gastrodia elata |
| PubChem | 59690894 |
| LOTUS | LTS0138047 |
| wikiData | Q105272588 |