Trypilepyrazinol
| Internal ID | 570dff4d-f646-43ea-886e-678b6f3da8de |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-5-methoxy-1H-pyrazin-2-one |
| SMILES (Canonical) | CCC(C)C1=NC(=C(NC1=O)CC2=CNC3=CC=CC=C32)OC |
| SMILES (Isomeric) | CC[C@H](C)C1=NC(=C(NC1=O)CC2=CNC3=CC=CC=C32)OC |
| InChI | InChI=1S/C18H21N3O2/c1-4-11(2)16-17(22)20-15(18(21-16)23-3)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,4,9H2,1-3H3,(H,20,22)/t11-/m0/s1 |
| InChI Key | XADABARFXGVGAG-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21N3O2 |
| Molecular Weight | 311.40 g/mol |
| Exact Mass | 311.16337692 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 2.90 |
| 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 | 96.27% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.45% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.34% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.17% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.02% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.76% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.69% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.90% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.58% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.99% | 98.59% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.16% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.96% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.09% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.38% | 88.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.09% | 91.49% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.38% | 95.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.08% | 96.39% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.16% | 96.67% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.33% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.08% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.27% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.18% | 90.08% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 80.16% | 96.06% |
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 | 146682634 |
| LOTUS | LTS0130077 |
| wikiData | Q105323836 |