(2S)-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]amino]-3-sulfanylpropanoic acid
| Internal ID | 0303feb5-5362-4ca4-b41c-18ea81391ed3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Cysteine and derivatives |
| IUPAC Name | (2S)-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]amino]-3-sulfanylpropanoic acid |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CCNC(CS)C(=O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)/C=C/CN[C@H](CS)C(=O)O |
| InChI | InChI=1S/C14H19NO5S/c1-19-11-6-9(7-12(20-2)13(11)16)4-3-5-15-10(8-21)14(17)18/h3-4,6-7,10,15-16,21H,5,8H2,1-2H3,(H,17,18)/b4-3+/t10-/m1/s1 |
| InChI Key | SGALCNPQZJSGQP-HMDXOVGESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H19NO5S |
| Molecular Weight | 313.37 g/mol |
| Exact Mass | 313.09839388 g/mol |
| Topological Polar Surface Area (TPSA) | 89.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]amino]-3-sulfanylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-e-3-4-hydroxy-35-dimethoxyphenylprop-2-enylamino-3-sulfanylpropanoic-acid.jpg "2D Structure of (2S)-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]amino]-3-sulfanylpropanoic 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 98.02% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.17% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.15% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.27% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.25% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.91% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.85% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.27% | 85.14% |
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 | 163185760 |
| LOTUS | LTS0262113 |
| wikiData | Q105252193 |