(3S,6S)-3,6-dimethylpiperazine-2,5-dione
AlkaPlorer ID: AK059770
Synonym: None
IUPAC Name: (3S,6S)-3,6-dimethylpiperazine-2,5-dione
Structure
SMILES: C[C@@H]1N=C(O)[C@H](C)N=C1O
InChI: InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m0/s1
InChIKey: WWISPHBAYBECQZ-IMJSIDKUSA-N
Reference
Triterpenoid saponins from the roots of Psammosilene tunicoides
PubChem CID: 165356
CAS: 5845-61-4
LOTUS: LTS0263089
SuperNatural Ⅲ: SN0421760-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psammosilene tunicoides | Psammosilene | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 142.158
TPSA？: 65.18
MolLogP？: 0.6900000000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Fusobacterium nucleatum | Fusobacterium nucleatum | Inhibition | nan | % | 10.1016/j.bmc.2018.11.042 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | IC50 | 900000.0 | nM | 10.1016/j.ejmech.2019.01.024 |
| Porphyromonas gingivalis | Porphyromonas gingivalis | Inhibition | nan | % | 10.1016/j.bmc.2018.11.042 |
| Streptococcus mutans | Streptococcus mutans | GI | nan | None | 10.1016/j.bmc.2018.11.042 |
| Streptococcus mutans | Streptococcus mutans | Inhibition | nan | % | 10.1016/j.bmc.2018.11.042 |