S-p-coumarylglutathione
| Internal ID | 50cef6ad-1bae-4e03-a12a-2cbc299514ec |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O |
| InChI | InChI=1S/C19H25N3O7S/c20-14(19(28)29)7-8-16(24)22-15(18(27)21-10-17(25)26)11-30-9-1-2-12-3-5-13(23)6-4-12/h1-6,14-15,23H,7-11,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/b2-1+/t14-,15-/m0/s1 |
| InChI Key | BMDQMTIYUGJORV-QJVFMVDXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H25N3O7S |
| Molecular Weight | 439.50 g/mol |
| Exact Mass | 439.14132132 g/mol |
| Topological Polar Surface Area (TPSA) | 204.00 Ų |
| XlogP | -2.40 |
| There are no found synonyms. |
| 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 | 98.59% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.06% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.17% | 83.82% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.55% | 99.35% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.44% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.14% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.68% | 94.45% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.21% | 92.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.36% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.62% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.61% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.07% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.00% | 97.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.95% | 93.10% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.65% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.38% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.17% | 91.71% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.07% | 89.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.75% | 99.15% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.21% | 85.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.61% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.52% | 90.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.84% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.20% | 97.93% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 81.55% | 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.
| Ananas comosus |
| PubChem | 72721516 |
| LOTUS | LTS0157941 |
| wikiData | Q104938357 |