2,2,2-Trifluoro-1-(5-methyl-4-undecyl-2,3-dihydropyrrol-1-yl)ethanone
| Internal ID | 675c564d-8692-4435-ac4f-bc3ed11224ac |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 2,2,2-trifluoro-1-(5-methyl-4-undecyl-2,3-dihydropyrrol-1-yl)ethanone |
| SMILES (Canonical) | CCCCCCCCCCCC1=C(N(CC1)C(=O)C(F)(F)F)C |
| SMILES (Isomeric) | CCCCCCCCCCCC1=C(N(CC1)C(=O)C(F)(F)F)C |
| InChI | InChI=1S/C18H30F3NO/c1-3-4-5-6-7-8-9-10-11-12-16-13-14-22(15(16)2)17(23)18(19,20)21/h3-14H2,1-2H3 |
| InChI Key | DSNMBYIZKSVKBM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30F3NO |
| Molecular Weight | 333.40 g/mol |
| Exact Mass | 333.22794907 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 6.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.45% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.83% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.44% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.21% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.27% | 92.86% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.87% | 93.65% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.56% | 92.08% |
| CHEMBL240 | Q12809 | HERG | 87.70% | 89.76% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.66% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.63% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.48% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.56% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.70% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.99% | 96.90% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.97% | 96.43% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.67% | 91.81% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.53% | 92.68% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.11% | 96.39% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.01% | 93.99% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162879345 |
| LOTUS | LTS0071649 |
| wikiData | Q104987912 |