(2R)-2-amino-3-[(R)-prop-2-enylsulfinyl]propanoic acid
| Internal ID | a4152414-a4e5-41f1-aac7-01e1f1b28f97 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2R)-2-amino-3-[(R)-prop-2-enylsulfinyl]propanoic acid |
| SMILES (Canonical) | C=CCS(=O)CC(C(=O)O)N |
| SMILES (Isomeric) | C=CC[S@@](=O)C[C@@H](C(=O)O)N |
| InChI | InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1 |
| InChI Key | XUHLIQGRKRUKPH-ULHQUTTKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H11NO3S |
| Molecular Weight | 177.22 g/mol |
| Exact Mass | 177.04596439 g/mol |
| Topological Polar Surface Area (TPSA) | 99.60 Ų |
| XlogP | -3.50 |
| There are no found synonyms. |
![2D Structure of (2R)-2-amino-3-[(R)-prop-2-enylsulfinyl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/07/2r-2-amino-3-r-prop-2-enylsulfinylpropanoic-acid.jpg "2D Structure of (2R)-2-amino-3-[(R)-prop-2-enylsulfinyl]propanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 95.87% | 92.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.17% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.25% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.61% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.51% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.52% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.98% | 89.34% |
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.
| Allium sativum |
| Aniba megaphylla |
| Berberis integerrima |
| Calocedrus decurrens |
| Digitalis sceptrum |
| Herbertus sakuraii |
| Nauclea latifolia |
| Orthopappus angustifolius |
| Scurrula parasitica |