2,2,2-Trifluoro-1-(5-methyl-4-pentadec-7-enyl-2,3-dihydropyrrol-1-yl)ethanone
| Internal ID | 40a63598-1865-4b6f-b9fc-2c66a8e8215b |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 2,2,2-trifluoro-1-(5-methyl-4-pentadec-7-enyl-2,3-dihydropyrrol-1-yl)ethanone |
| SMILES (Canonical) | CCCCCCCC=CCCCCCCC1=C(N(CC1)C(=O)C(F)(F)F)C |
| SMILES (Isomeric) | CCCCCCCC=CCCCCCCC1=C(N(CC1)C(=O)C(F)(F)F)C |
| InChI | InChI=1S/C22H36F3NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-26(19(20)2)21(27)22(23,24)25/h9-10H,3-8,11-18H2,1-2H3 |
| InChI Key | RYFVQMGDIBMAPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36F3NO |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.27489926 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 8.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.81% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.50% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.71% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.11% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.26% | 92.86% |
| CHEMBL240 | Q12809 | HERG | 89.90% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.11% | 95.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.90% | 93.65% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.61% | 98.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.57% | 94.66% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.48% | 85.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.35% | 86.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.13% | 97.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.11% | 96.90% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.99% | 93.99% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.23% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.87% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.95% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.29% | 90.24% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.04% | 96.43% |
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 | 162957151 |
| LOTUS | LTS0191172 |
| wikiData | Q105247547 |