(2E,7Z)-1-pyrrol-1-ylhexadeca-2,7-dien-1-one
| Internal ID | bc635048-4373-4785-9648-782a5f55d039 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles |
| IUPAC Name | (2E,7Z)-1-pyrrol-1-ylhexadeca-2,7-dien-1-one |
| SMILES (Canonical) | CCCCCCCCC=CCCCC=CC(=O)N1C=CC=C1 |
| SMILES (Isomeric) | CCCCCCCC/C=C\CCC/C=C/C(=O)N1C=CC=C1 |
| InChI | InChI=1S/C20H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h9-10,14-19H,2-8,11-13H2,1H3/b10-9-,17-14+ |
| InChI Key | NSUCVRFWGHUDPG-YNMXRFAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H31NO |
| Molecular Weight | 301.50 g/mol |
| Exact Mass | 301.240564612 g/mol |
| Topological Polar Surface Area (TPSA) | 22.00 Ų |
| XlogP | 6.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.81% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.08% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.40% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.22% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.61% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.42% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.93% | 97.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.58% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.83% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.20% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.16% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.42% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.43% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.23% | 97.29% |
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.
| Achillea ageratifolia |
| PubChem | 13846810 |
| LOTUS | LTS0216444 |
| wikiData | Q105185249 |