N-L-gamma-glutamyl-S-sinapyl-L-cysteine
| Internal ID | 326b03f8-1631-43fc-b34c-30e68422066c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-amino-5-[[(1R)-1-carboxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl]sulfanylethyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)/C=C/CSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| InChI | InChI=1S/C19H26N2O8S/c1-28-14-8-11(9-15(29-2)17(14)23)4-3-7-30-10-13(19(26)27)21-16(22)6-5-12(20)18(24)25/h3-4,8-9,12-13,23H,5-7,10,20H2,1-2H3,(H,21,22)(H,24,25)(H,26,27)/b4-3+/t12-,13-/m0/s1 |
| InChI Key | GPHRGVHMPPBSFE-GFSGRHGLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H26N2O8S |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.14098697 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -1.80 |
| GPHRGVHMPPBSFE-GFSGRHGLSA-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.94% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.23% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.35% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.41% | 89.63% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.05% | 92.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.60% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.54% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.90% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.23% | 89.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.86% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.39% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.62% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.38% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.26% | 94.73% |
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 | 15553259 |
| LOTUS | LTS0261460 |
| wikiData | Q105014833 |