3-[(2R)-butan-2-yl]-6-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-1,5-dimethoxypyrazin-2-one
| Internal ID | 2f5fdb35-5b09-4e95-b2f0-03b2631d67bb |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrazines > Methoxypyrazines |
| IUPAC Name | 3-[(2R)-butan-2-yl]-6-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-1,5-dimethoxypyrazin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22N2O5/c1-5-10(2)13-17(22)19(24-4)14(16(18-13)23-3)15(21)11-6-8-12(20)9-7-11/h6-10,15,20-21H,5H2,1-4H3/t10-,15-/m1/s1 |
| InChI Key | MWAGOLSZSGXJKX-MEBBXXQBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H22N2O5 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.15287181 g/mol |
| Topological Polar Surface Area (TPSA) | 91.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 3-[(2R)-butan-2-yl]-6-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-1,5-dimethoxypyrazin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-2r-butan-2-yl-6-r-hydroxy-4-hydroxyphenylmethyl-15-dimethoxypyrazin-2-one.jpg "2D Structure of 3-[(2R)-butan-2-yl]-6-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-1,5-dimethoxypyrazin-2-one")
| 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 | 97.89% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.53% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.60% | 93.10% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.72% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.17% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.35% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.09% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.42% | 90.71% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 83.11% | 91.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.11% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.67% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.55% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.40% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 162887516 |
| LOTUS | LTS0124501 |
| wikiData | Q105173468 |