3-[[4-(2,3-Dihydroxy-3-methylbutoxy)phenyl]methyl]-1,4-dimethyl-6-methylsulfanylpiperazine-2,5-dione
| Internal ID | 98ad34a4-6428-4354-aaf3-e65fc5b2d30a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-[[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]methyl]-1,4-dimethyl-6-methylsulfanylpiperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28N2O5S/c1-19(2,25)15(22)11-26-13-8-6-12(7-9-13)10-14-16(23)21(4)18(27-5)17(24)20(14)3/h6-9,14-15,18,22,25H,10-11H2,1-5H3 |
| InChI Key | DXKZHOFMXXPYED-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28N2O5S |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.17189317 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 3-[[4-(2,3-Dihydroxy-3-methylbutoxy)phenyl]methyl]-1,4-dimethyl-6-methylsulfanylpiperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-23-dihydroxy-3-methylbutoxyphenylmethyl-14-dimethyl-6-methylsulfanylpiperazine-25-dione.jpg "2D Structure of 3-[[4-(2,3-Dihydroxy-3-methylbutoxy)phenyl]methyl]-1,4-dimethyl-6-methylsulfanylpiperazine-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 | 99.17% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.24% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.10% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.06% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.61% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.52% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.86% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.80% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.73% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.03% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.74% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.49% | 94.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.89% | 97.29% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.46% | 92.68% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 81.36% | 98.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163064914 |
| LOTUS | LTS0083511 |
| wikiData | Q103818774 |