Semiplenamide F
| Internal ID | 02980498-d00e-4dbd-a05d-e8ae1b2662d6 |
| Taxonomy | Organoheterocyclic compounds > Epoxides > Oxirane carboxylic acids and derivatives |
| IUPAC Name | (2S,3R)-N-(1-hydroxypropan-2-yl)-2-methyl-3-pentadecyloxirane-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22(3,26-20)21(25)23-19(2)18-24/h19-20,24H,4-18H2,1-3H3,(H,23,25)/t19?,20-,22+/m1/s1 |
| InChI Key | WTOKUHHGBBPESF-VRAFCGOGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H43NO3 |
| Molecular Weight | 369.60 g/mol |
| Exact Mass | 369.32429423 g/mol |
| Topological Polar Surface Area (TPSA) | 61.90 Ų |
| XlogP | 7.00 |
| CHEMBL466776 |
| DTXSID001236349 |
| 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 |
|---|---|---|---|---|
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.12% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.76% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.12% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.32% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.55% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.37% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.54% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.27% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.97% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.56% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.61% | 96.47% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.31% | 92.88% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.06% | 91.19% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.78% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.46% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.12% | 96.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.06% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.65% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.28% | 97.79% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.24% | 91.24% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.90% | 96.90% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.56% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.06% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.02% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.55% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.47% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.81% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.42% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.10% | 98.75% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.40% | 89.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 10022023 |
| LOTUS | LTS0112473 |
| wikiData | Q77379365 |