2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
| Internal ID | b776dfe0-a586-48db-b661-1a0a7b8a9ce3 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines > 6-alkylaminopurines |
| IUPAC Name | 2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol |
| SMILES (Canonical) | CC(=CCNC1=NC=NC2=C1NC=N2)CO |
| SMILES (Isomeric) | CC(=CCNC1=NC=NC2=C1NC=N2)CO |
| InChI | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15) |
| InChI Key | UZKQTCBAMSWPJD-UHFFFAOYSA-N |
| Popularity | 151 references in papers |
| Molecular Formula | C10H13N5O |
| Molecular Weight | 219.24 g/mol |
| Exact Mass | 219.11201006 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 0.70 |
| 2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol |
| 6-(4-Hydroxy-3-methylbut-2-enylamino)purine |
| 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)- |
| DTXSID10859662 |
| AKOS030228159 |
| FT-0629732 |
| FT-0630563 |
| FT-0657939 |
| Z0012 |
| 6-(4-Hydroxy-3-methyl-2-butenylamino)purine |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 90.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.13% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.61% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.58% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.68% | 94.75% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.76% | 89.44% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.70% | 96.90% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.62% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.21% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.91% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.90% | 89.34% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.33% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.18% | 86.33% |
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 |
| Zea mays |
| PubChem | 15419 |
| LOTUS | LTS0112277 |
| wikiData | Q2276562 |