Tenuazonic acid
AlkaPlorer ID: AK315132
Synonym: 3-Acetyl-1,5-dihydro-4-hydroxy-5-(1-methylpropyl)-2H-pyrrol-2-one, 3-(1-Hydroxyethylidene)-5-(1-methylpropyl)-2,4-pyrrolidinedione, 3-Acetyl-5-sec-butyltetramic acid, Vivotoxin
IUPAC Name: 4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
Structure
SMILES: CCC(C)C1N=C(O)C(C(C)=O)=C1O
InChI: InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)
InChIKey: CEIZFXOZIQNICU-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 197.234
TPSA？: 69.89
MolLogP？: 1.7723
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 23099.9 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 50118.7 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 31622.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 12995.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 25118.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |