4-[(1R)-1-(6-aminopurin-9-yl)ethyl]benzene-1,2-diol
| Internal ID | 7ff7b99c-d3fa-4cb3-b7a7-d2bc4e3923f7 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines |
| IUPAC Name | 4-[(1R)-1-(6-aminopurin-9-yl)ethyl]benzene-1,2-diol |
| SMILES (Canonical) | CC(C1=CC(=C(C=C1)O)O)N2C=NC3=C(N=CN=C32)N |
| SMILES (Isomeric) | C[C@H](C1=CC(=C(C=C1)O)O)N2C=NC3=C(N=CN=C32)N |
| InChI | InChI=1S/C13H13N5O2/c1-7(8-2-3-9(19)10(20)4-8)18-6-17-11-12(14)15-5-16-13(11)18/h2-7,19-20H,1H3,(H2,14,15,16)/t7-/m1/s1 |
| InChI Key | KYMVQMSXUHNDIW-SSDOTTSWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H13N5O2 |
| Molecular Weight | 271.27 g/mol |
| Exact Mass | 271.10692467 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 4-[(1R)-1-(6-aminopurin-9-yl)ethyl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1r-1-6-aminopurin-9-ylethylbenzene-12-diol.jpg "2D Structure of 4-[(1R)-1-(6-aminopurin-9-yl)ethyl]benzene-1,2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.64% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.04% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 93.21% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.43% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.90% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.63% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.32% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.26% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.11% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.76% | 98.75% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.40% | 97.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.34% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.94% | 86.33% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 85.68% | 93.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.69% | 94.73% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.02% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.67% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.23% | 91.03% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 81.82% | 100.00% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.60% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.59% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.30% | 95.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.20% | 91.76% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.05% | 96.12% |
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.
| Artemisia capillaris |
| PubChem | 162996703 |
| LOTUS | LTS0178849 |
| wikiData | Q105147794 |