(3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione
| Internal ID | d732824f-55f1-420d-9e92-8e4e71571775 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione |
| SMILES (Canonical) | C1C(=O)NC(C(=O)N1)CSCC2=CC=C(C=C2)O |
| SMILES (Isomeric) | C1C(=O)N[C@H](C(=O)N1)CSCC2=CC=C(C=C2)O |
| InChI | InChI=1S/C12H14N2O3S/c15-9-3-1-8(2-4-9)6-18-7-10-12(17)13-5-11(16)14-10/h1-4,10,15H,5-7H2,(H,13,17)(H,14,16)/t10-/m0/s1 |
| InChI Key | FFXOQJNFBBVFNA-JTQLQIEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.32 g/mol |
| Exact Mass | 266.07251349 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3r-3-4-hydroxyphenylmethylsulfanylmethylpiperazine-25-dione.jpg "2D Structure of (3R)-3-[(4-hydroxyphenyl)methylsulfanylmethyl]piperazine-2,5-dione")
| 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 | 95.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.59% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.88% | 93.10% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.84% | 95.93% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.54% | 90.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.33% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.81% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.68% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.51% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.19% | 83.82% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.39% | 89.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.77% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.00% | 88.56% |
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.
| Gymnadenia conopsea |
| PubChem | 131846281 |
| LOTUS | LTS0060589 |
| wikiData | Q104994727 |