(2E,9E)-1-pyrrolidin-1-ylnonadeca-2,9-dien-1-one
| Internal ID | a9875f19-308e-40f2-9e16-fa4a68f6ede7 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-acylpyrrolidines |
| IUPAC Name | (2E,9E)-1-pyrrolidin-1-ylnonadeca-2,9-dien-1-one |
| SMILES (Canonical) | CCCCCCCCCC=CCCCCCC=CC(=O)N1CCCC1 |
| SMILES (Isomeric) | CCCCCCCCC/C=C/CCCCC/C=C/C(=O)N1CCCC1 |
| InChI | InChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)24-21-18-19-22-24/h10-11,17,20H,2-9,12-16,18-19,21-22H2,1H3/b11-10+,20-17+ |
| InChI Key | WETGLEAOFFOIMU-HZYBWVPXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H41NO |
| Molecular Weight | 347.60 g/mol |
| Exact Mass | 347.318814931 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 | 97.09% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.56% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.40% | 92.86% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 92.89% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.57% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.23% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.42% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.31% | 97.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.07% | 94.33% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 83.55% | 93.90% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.47% | 90.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.40% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.69% | 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.
| Piper mullesua |
| PubChem | 14162527 |
| LOTUS | LTS0199842 |
| wikiData | Q105303547 |