3-methyl-N-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanamide
| Internal ID | b861d802-b055-4a83-91c8-ff6f3edb32cc |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | 3-methyl-N-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanamide |
| SMILES (Canonical) | CC(C)CC(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2 |
| SMILES (Isomeric) | CC(C)CC(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2 |
| InChI | InChI=1S/C18H24N2O2/c1-14(2)13-17(21)19-16-9-6-12-20(16)18(22)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3,(H,19,21) |
| InChI Key | ZNTRFYBQZJQJRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24N2O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 3-methyl-N-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-methyl-n-1-3-phenylprop-2-enoylpyrrolidin-2-ylbutanamide.jpg "2D Structure of 3-methyl-N-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.08% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.50% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.25% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.29% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 84.74% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.09% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.86% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.55% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.39% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.37% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.97% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.16% | 90.00% |
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.
| Aglaia edulis |
| PubChem | 162977397 |
| LOTUS | LTS0062609 |
| wikiData | Q105380215 |