(5-Methyl-4-tridec-5-enyl-2,3-dihydropyrrol-1-yl)-phenylmethanone
| Internal ID | 4c9d1a43-09ae-4a94-a12f-9730b75bc00a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides |
| IUPAC Name | (5-methyl-4-tridec-5-enyl-2,3-dihydropyrrol-1-yl)-phenylmethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(22(23)2)25(27)24-18-15-13-16-19-24/h9-10,13,15-16,18-19H,3-8,11-12,14,17,20-21H2,1-2H3 |
| InChI Key | IDXJZUDVUAIXPB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H37NO |
| Molecular Weight | 367.60 g/mol |
| Exact Mass | 367.287514804 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 7.60 |
| 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 | 98.69% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.11% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.89% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.38% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.22% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.79% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.79% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.30% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 90.70% | 89.76% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.69% | 97.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.79% | 93.99% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.37% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.96% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.38% | 96.25% |
| CHEMBL5028 | O14672 | ADAM10 | 82.89% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.87% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.80% | 96.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.00% | 93.00% |
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.
| There are no matching plants. |
| PubChem | 162986955 |
| LOTUS | LTS0129549 |
| wikiData | Q105111592 |