N-(3-methoxybutyl)-3-pentylaniline
| Internal ID | f2d3a561-e8bf-4629-bd58-b805a82887cf |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines > Phenylalkylamines |
| IUPAC Name | N-(3-methoxybutyl)-3-pentylaniline |
| SMILES (Canonical) | CCCCCC1=CC(=CC=C1)NCCC(C)OC |
| SMILES (Isomeric) | CCCCCC1=CC(=CC=C1)NCCC(C)OC |
| InChI | InChI=1S/C16H27NO/c1-4-5-6-8-15-9-7-10-16(13-15)17-12-11-14(2)18-3/h7,9-10,13-14,17H,4-6,8,11-12H2,1-3H3 |
| InChI Key | GHYHAUZUMMQILB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H27NO |
| Molecular Weight | 249.39 g/mol |
| Exact Mass | 249.209264485 g/mol |
| Topological Polar Surface Area (TPSA) | 21.30 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.78% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.59% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.82% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.83% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.81% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.03% | 97.23% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 90.03% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.64% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.04% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.00% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.26% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.59% | 95.34% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.31% | 92.86% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.89% | 91.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.28% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.34% | 95.17% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.32% | 93.04% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.51% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.47% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.40% | 91.11% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 81.40% | 87.16% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.17% | 85.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.74% | 92.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.23% | 96.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.22% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.01% | 97.25% |
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.
| Tessmannia densiflora |
| PubChem | 163193867 |
| LOTUS | LTS0238861 |
| wikiData | Q105106888 |