4-Hydroxy-3-nitrobenzaldehyde
AlkaPlorer ID: AK301608
Synonym: 4-Formyl-2-nitrophenol
IUPAC Name: 4-hydroxy-3-nitrobenzaldehyde
Structure
SMILES: O=CC1=CC=C(O)C([N+](=O)[O-])=C1
InChI: InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChIKey: YTHJCZRFJGXPTL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vibrio sp. | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 167.11999999999998
TPSA？: 80.44
MolLogP？: 1.1128999999999998
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Gamma-amino-N-butyrate transaminase | IC50 | 15500.0 | nM | 10.1016/j.bmcl.2005.10.040 |
| Homo sapiens | Succinate semialdehyde dehydrogenase | IC50 | 33100.0 | nM | 10.1016/j.bmcl.2005.10.040 |