(14S)-14-Methyl-1-(1-pyrrolidinyl)-1-hexadecanone
| Internal ID | a1ced336-9c6f-49cc-a6ca-4342ebb4514b |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-acylpyrrolidines |
| IUPAC Name | (14S)-14-methyl-1-pyrrolidin-1-ylhexadecan-1-one |
| SMILES (Canonical) | CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1 |
| SMILES (Isomeric) | CC[C@H](C)CCCCCCCCCCCCC(=O)N1CCCC1 |
| InChI | InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3/t20-/m0/s1 |
| InChI Key | VRAFLAJRBDTYBS-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H41NO |
| Molecular Weight | 323.60 g/mol |
| Exact Mass | 323.318814931 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 7.80 |
| (14S)-14-Methyl-1-(1-pyrrolidinyl)-1-hexadecanone |
| 260058-83-1 |
| 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 | 98.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.36% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.12% | 90.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 89.35% | 96.25% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 88.62% | 93.90% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.59% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.40% | 93.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.86% | 94.66% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.31% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.08% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.00% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.89% | 98.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.47% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.27% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.64% | 94.45% |
| CHEMBL3691 | Q13822 | Autotaxin | 82.62% | 96.39% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.73% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.54% | 93.99% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.92% | 97.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.82% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.36% | 100.00% |
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.
| Distimake quinquefolius |
| Ipomoea aquatica |
| PubChem | 11163114 |
| LOTUS | LTS0273174 |
| wikiData | Q105291641 |