Deoxyneo-beta-hydroxyaspergillic acid
| Internal ID | f0db9297-9f4e-45e7-ac18-0e9bbab5292a |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrazines |
| IUPAC Name | 6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-1H-pyrazin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H20N2O2/c1-8(2)5-10-11(15)14-9(7-13-10)6-12(3,4)16/h7-8,16H,5-6H2,1-4H3,(H,14,15) |
| InChI Key | LFPVONRFFDDQNC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H20N2O2 |
| Molecular Weight | 224.30 g/mol |
| Exact Mass | 224.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 61.70 Ų |
| XlogP | 0.70 |
| 40034-14-8 |
| G40O06336Q |
| UNII-G40O06336Q |
| 3-Hydroxy-2-(2-methylpropyl)-5-(2-hydroxy-2-methylpropyl)pyrazin |
| 2(1H)-Pyrazinone, 6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)- |
| DTXSID90701514 |
| CHEBI:197710 |
| 6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-1H-pyrazin-2-one |
| DEOXYNEO-.BETA.-HYDROXYASPERGILLIC ACID |
| Q27278705 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.36% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.93% | 89.34% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.30% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.50% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.55% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.05% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.68% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.98% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.09% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.71% | 92.68% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.69% | 90.08% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.64% | 97.23% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 84.25% | 98.33% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 83.79% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.55% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.42% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.63% | 99.23% |
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 | 53438794 |
| LOTUS | LTS0234162 |
| wikiData | Q27278705 |