2-Butyl-5-heptyl-3,4-dihydro-2H-pyrrole
| Internal ID | 5adf9eb4-27ac-41a5-88f5-2986e904fcc2 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 2-butyl-5-heptyl-3,4-dihydro-2H-pyrrole |
| SMILES (Canonical) | CCCCCCCC1=NC(CC1)CCCC |
| SMILES (Isomeric) | CCCCCCCC1=NC(CC1)CCCC |
| InChI | InChI=1S/C15H29N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h14H,3-13H2,1-2H3 |
| InChI Key | JGCDFPFJPDWLGQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H29N |
| Molecular Weight | 223.40 g/mol |
| Exact Mass | 223.229999929 g/mol |
| Topological Polar Surface Area (TPSA) | 12.40 Ų |
| XlogP | 4.80 |
| 83688-87-3 |
| DTXSID30552986 |
| RefChem:86038 |
| DTXCID60503769 |
| 2-butyl-5-heptyl-5-pyrroline |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.49% | 97.25% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 95.88% | 90.24% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.07% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.30% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.42% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 91.09% | 89.76% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.65% | 91.81% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.47% | 95.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.07% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.04% | 100.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.09% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.68% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.06% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.43% | 95.50% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.22% | 99.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.08% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 13944024 |
| LOTUS | LTS0122386 |
| wikiData | Q82433440 |