(E)-3-[(S)-methylsulfinyl]-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]prop-2-enamide
Internal ID | 5d3807fa-79b8-4091-8dcb-0971ff27f469 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
IUPAC Name | (E)-3-[(S)-methylsulfinyl]-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]prop-2-enamide |
SMILES (Canonical) | CS(=O)C=CC(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2 |
SMILES (Isomeric) | C[S@](=O)/C=C/C(=O)N[C@@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2 |
InChI | InChI=1S/C17H20N2O3S/c1-23(22)13-11-16(20)18-15-8-5-12-19(15)17(21)10-9-14-6-3-2-4-7-14/h2-4,6-7,9-11,13,15H,5,8,12H2,1H3,(H,18,20)/b10-9+,13-11+/t15-,23-/m0/s1 |
InChI Key | YIMIJWXCYXPRAS-ALQZCGPLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H20N2O3S |
Molecular Weight | 332.40 g/mol |
Exact Mass | 332.11946368 g/mol |
Topological Polar Surface Area (TPSA) | 85.70 Ų |
XlogP | 1.70 |
There are no found synonyms. |
![2D Structure of (E)-3-[(S)-methylsulfinyl]-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]prop-2-enamide 2D Structure of (E)-3-[(S)-methylsulfinyl]-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-s-methylsulfinyl-n-2s-1-e-3-phenylprop-2-enoylpyrrolidin-2-ylprop-2-enamide.jpg)
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 | 93.74% | 90.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.56% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 92.32% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.10% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.93% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.53% | 96.00% |
CHEMBL5028 | O14672 | ADAM10 | 84.87% | 97.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.01% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.53% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.99% | 90.00% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.66% | 90.24% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.63% | 93.00% |
CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.18% | 96.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 163064027 |
LOTUS | LTS0135435 |
wikiData | Q105167899 |