1-Hexadecanoylpyrrolidine
| Internal ID | 64b07849-49a0-43f1-8e93-16c89c0ea71c |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-acylpyrrolidines |
| IUPAC Name | 1-pyrrolidin-1-ylhexadecan-1-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)N1CCCC1 |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)N1CCCC1 |
| InChI | InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3 |
| InChI Key | ULDNZNZTSYZQKK-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C20H39NO |
| Molecular Weight | 309.50 g/mol |
| Exact Mass | 309.303164868 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 7.50 |
| 1-pyrrolidin-1-ylhexadecan-1-one |
| 70974-48-0 |
| N-Hexadecanoylpyrrolidine |
| L9VH2AR5CQ |
| Pyrrolidine, 1-palmitoyl- |
| 1-(Pyrrolidin-1-yl)hexadecan-1-one |
| N-Pyrrolidinyl-hexadecanamide |
| NSC-61588 |
| Pyrrolidine, 1-(1-oxohexadecyl)- |
| 1-(1-Pyrrolidinyl)-1-hexadecanone |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.95% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.95% | 89.63% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.61% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.03% | 92.86% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 89.69% | 93.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.13% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.62% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.84% | 92.08% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.40% | 90.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.40% | 97.25% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.95% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.61% | 90.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.21% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.89% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.61% | 92.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.23% | 97.50% |
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.
| Ipomoea aquatica |
| Piper amalago |
| Piper nigrum |
| PubChem | 247220 |
| LOTUS | LTS0089026 |
| wikiData | Q82026809 |