S-methyl N-[3-[4-formamidobutyl(3-phenylprop-2-enoyl)amino]propyl]carbamothioate
| Internal ID | 2b7c02b2-d07f-4414-ab74-4c28a58742da |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | S-methyl N-[3-[4-formamidobutyl(3-phenylprop-2-enoyl)amino]propyl]carbamothioate |
| SMILES (Canonical) | CSC(=O)NCCCN(CCCCNC=O)C(=O)C=CC1=CC=CC=C1 |
| SMILES (Isomeric) | CSC(=O)NCCCN(CCCCNC=O)C(=O)C=CC1=CC=CC=C1 |
| InChI | InChI=1S/C19H27N3O3S/c1-26-19(25)21-13-7-15-22(14-6-5-12-20-16-23)18(24)11-10-17-8-3-2-4-9-17/h2-4,8-11,16H,5-7,12-15H2,1H3,(H,20,23)(H,21,25) |
| InChI Key | CGBLBCRVDKYKCU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H27N3O3S |
| Molecular Weight | 377.50 g/mol |
| Exact Mass | 377.17731291 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of S-methyl N-[3-[4-formamidobutyl(3-phenylprop-2-enoyl)amino]propyl]carbamothioate](https://plantaedb.com/storage/docs/compounds/2023/11/s-methyl-n-3-4-formamidobutyl3-phenylprop-2-enoylaminopropylcarbamothioate.jpg "2D Structure of S-methyl N-[3-[4-formamidobutyl(3-phenylprop-2-enoyl)amino]propyl]carbamothioate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.85% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.04% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.58% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.68% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.31% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.38% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 88.12% | 97.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.00% | 85.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.66% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.26% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.96% | 100.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.54% | 96.67% |
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.
| Chisocheton lasiocarpus |
| PubChem | 163036417 |
| LOTUS | LTS0087564 |
| wikiData | Q104957426 |