(2r)-2-Methyl-4-(7h-Purin-6-Ylamino)butan-1-Ol
| Internal ID | 7a095b05-fa73-46a4-80b9-bd6041fd45e6 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines > 6-alkylaminopurines |
| IUPAC Name | (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol |
| SMILES (Canonical) | CC(CCNC1=NC=NC2=C1NC=N2)CO |
| SMILES (Isomeric) | C[C@H](CCNC1=NC=NC2=C1NC=N2)CO |
| InChI | InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1 |
| InChI Key | XXFACTAYGKKOQB-SSDOTTSWSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C10H15N5O |
| Molecular Weight | 221.26 g/mol |
| Exact Mass | 221.12766012 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 0.90 |
| (2r)-2-Methyl-4-(7h-Purin-6-Ylamino)butan-1-Ol |
| 37789-32-5 |
| 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol |
| CHEBI:17874 |
| DTXSID40350899 |
| N(6)-(4-hydroxyisopentanyl)adenine |
| 2-methyl-4-(9H-purin-6-ylamino)butan-1-ol |
| Q27102685 |
| WA2 |
| 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 | 95.81% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.70% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.06% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.03% | 89.34% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.32% | 97.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.12% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.66% | 96.90% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 85.30% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.17% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.80% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.69% | 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 |
| Brassica napus |
| Dianthus caryophyllus |
| Heptapleurum arboricola |
| Lupinus luteus |
| Phaseolus vulgaris |
| PubChem | 688447 |
| LOTUS | LTS0192537 |
| wikiData | Q27102685 |