1-(5-Methyl-4-tridecyl-2,3-dihydropyrrol-1-yl)ethanone
| Internal ID | bd4c24b0-e2aa-4215-b63a-16a06819b0c6 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 1-(5-methyl-4-tridecyl-2,3-dihydropyrrol-1-yl)ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(18(20)2)19(3)22/h4-17H2,1-3H3 |
| InChI Key | CMWZZRZGLKJOMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H37NO |
| Molecular Weight | 307.50 g/mol |
| Exact Mass | 307.287514804 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 6.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.42% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.20% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.55% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.50% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.53% | 92.08% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.04% | 87.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.85% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.30% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.12% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.93% | 91.81% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.10% | 93.65% |
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.
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| There are no matching plants. |
| PubChem | 162890803 |
| LOTUS | LTS0121239 |
| wikiData | Q104965325 |