(E)-N-[(2S)-1-carbamimidoylpyrrolidin-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
| Internal ID | 8e3a052c-4aba-4e74-8cc6-0d4ac8d11a6c |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (E)-N-[(2S)-1-carbamimidoylpyrrolidin-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=CC(=O)NC2CCCN2C(=N)N)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)/C=C/C(=O)N[C@@H]2CCCN2C(=N)N)O |
| InChI | InChI=1S/C15H20N4O3/c1-22-12-6-4-10(9-11(12)20)5-7-14(21)18-13-3-2-8-19(13)15(16)17/h4-7,9,13,20H,2-3,8H2,1H3,(H3,16,17)(H,18,21)/b7-5+/t13-/m0/s1 |
| InChI Key | ZERMYLJEHPYWJD-IYNGYCSASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20N4O3 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.15354051 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (E)-N-[(2S)-1-carbamimidoylpyrrolidin-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e-n-2s-1-carbamimidoylpyrrolidin-2-yl-3-3-hydroxy-4-methoxyphenylprop-2-enamide.jpg "2D Structure of (E)-N-[(2S)-1-carbamimidoylpyrrolidin-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide")
| 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 | 98.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.54% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.86% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.10% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.92% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.87% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.36% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.48% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.42% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.35% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.24% | 91.19% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.74% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.53% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.91% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.72% | 91.03% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 82.32% | 94.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.87% | 99.18% |
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.
| Solanum cernuum |
| PubChem | 163055215 |
| LOTUS | LTS0240581 |
| wikiData | Q105373567 |