Nitroleic Acid
AlkaPlorer ID: AK320315
Synonym: None
IUPAC Name: (E)-9-nitrooctadec-9-enoic acid
Structure
SMILES: CCCCCCCC/C=C(\CCCCCCCC(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+
InChIKey: CQOAKBVRRVHWKV-SAPNQHFASA-N
Source
Properties Information
Molecule Weight: 327.465
TPSA？: 80.44
MolLogP？: 5.712900000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Fructose-1,6-bisphosphatase | IC50 | 58000.0 | nM | 10.1016/j.ejmech.2019.111749 |
| Homo sapiens | MCF7 | Activity | 5.0 | % | 10.1021/jm900326c |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/jm900326c |
| Homo sapiens | Peroxisome proliferator-activated receptor alpha | IC50 | 15000.0 | nM | 10.1021/jm900326c |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Activity | nan | None | 10.1021/jm900326c |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | IC50 | 980.0 | nM | 10.1021/jm900326c |
| Homo sapiens | Transient receptor potential cation channel subfamily A member 1 | EC50 | 1000.0 | nM | 10.1021/jm100062h |