3-Butylpyridine
| Internal ID | fdafef5e-4083-4004-abe0-c666d12b0094 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives |
| IUPAC Name | 3-butylpyridine |
| SMILES (Canonical) | CCCCC1=CN=CC=C1 |
| SMILES (Isomeric) | CCCCC1=CN=CC=C1 |
| InChI | InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3 |
| InChI Key | QSNMFWFDOFQASV-UHFFFAOYSA-N |
| Popularity | 477 references in papers |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.21 g/mol |
| Exact Mass | 135.104799419 g/mol |
| Topological Polar Surface Area (TPSA) | 12.90 Ų |
| XlogP | 2.50 |
| 539-32-2 |
| 3-n-Butylpyridine |
| PYRIDINE, 3-BUTYL- |
| 1-(3-Pyridyl)butane |
| 3-butyl-pyridine |
| 7I8G7Q77YM |
| EINECS 208-715-1 |
| BRN 0109540 |
| UNII-7I8G7Q77YM |
| Fusarinin? |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.24% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.09% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.96% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.61% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.67% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.42% | 95.93% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.75% | 93.65% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.37% | 90.24% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.22% | 93.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.87% | 90.17% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 80.59% | 87.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.51% | 85.30% |
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.
| Camellia sinensis |
| Mentha arvensis |
| PubChem | 10874 |
| LOTUS | LTS0162349 |
| wikiData | Q27268343 |