S-sinapyl-L-cysteine
| Internal ID | b762793e-7dd1-41a4-9b51-a37b59de697f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Cysteine and derivatives |
| IUPAC Name | (2R)-2-amino-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]sulfanylpropanoic acid |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CCSCC(C(=O)O)N |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)/C=C/CSC[C@@H](C(=O)O)N |
| InChI | InChI=1S/C14H19NO5S/c1-19-11-6-9(7-12(20-2)13(11)16)4-3-5-21-8-10(15)14(17)18/h3-4,6-7,10,16H,5,8,15H2,1-2H3,(H,17,18)/b4-3+/t10-/m0/s1 |
| InChI Key | XJBBOFRVLANYNM-FSIBCCDJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H19NO5S |
| Molecular Weight | 313.37 g/mol |
| Exact Mass | 313.09839388 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | -1.00 |
| XJBBOFRVLANYNM-FSIBCCDJSA-N |
| 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 | 98.22% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.44% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.92% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.47% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.50% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.27% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.66% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.21% | 98.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.06% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.76% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.70% | 93.31% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.72% | 91.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.66% | 94.42% |
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.
| Ananas comosus |
| PubChem | 15553258 |
| LOTUS | LTS0202407 |
| wikiData | Q105328837 |