Nitropyrrolin E
| Internal ID | 9978d708-4b6a-41b2-8c5b-c307d4e7e156 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (E,3R,10R,11R)-10-chloro-2,6,10-trimethyl-12-(5-nitro-1H-pyrrol-3-yl)dodec-6-ene-2,3,11-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H31ClN2O5/c1-13(7-8-15(23)18(2,3)25)6-5-9-19(4,20)16(24)10-14-11-17(21-12-14)22(26)27/h6,11-12,15-16,21,23-25H,5,7-10H2,1-4H3/b13-6+/t15-,16-,19-/m1/s1 |
| InChI Key | CAJMFLABBNVXCD-BMGPEXAXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H31ClN2O5 |
| Molecular Weight | 402.90 g/mol |
| Exact Mass | 402.1921498 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 3.20 |
| CHEBI:70280 |
| CHEMBL1651438 |
| Q27138620 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.64% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.12% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.73% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.88% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.86% | 89.34% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.07% | 92.88% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.64% | 93.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.29% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.25% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.17% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.39% | 92.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.55% | 92.08% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.45% | 97.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.73% | 96.90% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.89% | 93.81% |
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 | 50905210 |
| LOTUS | LTS0215430 |
| wikiData | Q27138620 |