3-Nitropropanol
| Internal ID | fb04ed97-a543-4177-9aca-7c41c7f766d2 |
| Taxonomy | Organic 1,3-dipolar compounds > Allyl-type 1,3-dipolar organic compounds > Organic nitro compounds > C-nitro compounds |
| IUPAC Name | 3-nitropropan-1-ol |
| SMILES (Canonical) | C(C[N+](=O)[O-])CO |
| SMILES (Isomeric) | C(C[N+](=O)[O-])CO |
| InChI | InChI=1S/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2 |
| InChI Key | YISPKQZWSIMXMX-UHFFFAOYSA-N |
| Popularity | 46 references in papers |
| Molecular Formula | C3H7NO3 |
| Molecular Weight | 105.09 g/mol |
| Exact Mass | 105.042593085 g/mol |
| Topological Polar Surface Area (TPSA) | 66.00 Ų |
| XlogP | -0.30 |
| 25182-84-7 |
| 3-nitropropan-1-ol |
| 3-NITRO-1-PROPANOL |
| 1-Propanol, 3-nitro- |
| MFCD00040626 |
| 9284XW200I |
| 3-nitro propanol |
| EINECS 246-716-9 |
| BRN 1746958 |
| UNII-9284XW200I |
| 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 |
|---|---|---|---|---|
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.76% | 92.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.02% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.43% | 91.24% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.45% | 86.92% |
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.
| Astragalus miser |
| Erophaca baetica subsp. baetica |
| PubChem | 32832 |
| LOTUS | LTS0046494 |
| wikiData | Q27121449 |