Isobutyl nitrite
| Internal ID | 4c399626-e5fa-4351-a967-31514eb49f48 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Organic nitroso compounds > Organic O-nitroso compounds |
| IUPAC Name | 2-methylpropyl nitrite |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3 |
| InChI Key | APNSGVMLAYLYCT-UHFFFAOYSA-N |
| Popularity | 220 references in papers |
| Molecular Formula | C4H9NO2 |
| Molecular Weight | 103.12 g/mol |
| Exact Mass | 103.063328530 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 1.40 |
| 542-56-3 |
| Nitrous acid, 2-methylpropyl ester |
| Nitrous acid, isobutyl ester |
| NCI-C61052 |
| DTXSID3020750 |
| GW9WAB6QOM |
| CHEBI:46643 |
| DTXCID70750 |
| RefChem:791638 |
| 2-methylpropyl nitrite;isobutyl nitrite |
| 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 |
|---|---|---|---|---|---|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
31622.8 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.62% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.13% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.99% | 96.00% |
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.
| Leibnitzia anandria |
| PubChem | 10958 |
| NPASS | NPC84750 |
| ChEMBL | CHEMBL1526886 |