3-butyl-5-methoxy-N-pentylaniline
| Internal ID | fef3e993-bb41-4a1d-9377-49f98c2304f4 |
| Taxonomy | Benzenoids > Phenol ethers > Aminophenyl ethers |
| IUPAC Name | 3-butyl-5-methoxy-N-pentylaniline |
| SMILES (Canonical) | CCCCCNC1=CC(=CC(=C1)CCCC)OC |
| SMILES (Isomeric) | CCCCCNC1=CC(=CC(=C1)CCCC)OC |
| InChI | InChI=1S/C16H27NO/c1-4-6-8-10-17-15-11-14(9-7-5-2)12-16(13-15)18-3/h11-13,17H,4-10H2,1-3H3 |
| InChI Key | LZQROVULQOBMDC-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 | 5.60 |
| 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 | 98.99% | 89.76% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.81% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.43% | 99.17% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.19% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.18% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.01% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.58% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.37% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.58% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.32% | 95.89% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 81.64% | 94.67% |
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 | 163014789 |
| LOTUS | LTS0248011 |
| wikiData | Q105160079 |