(3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
AlkaPlorer ID: AK006959
Synonym: None
IUPAC Name: (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1
InChIKey: XWYXUMDVQIOAPR-UWVGGRQHSA-N
Reference
Diketopiperazine constituents of marine Bacillus subtilis
PubChem CID: 192731
CAS: 952-45-4
LOTUS: LTS0234543
SuperNatural Ⅲ: SN0442317-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kandelia candel | Kandelia | Rhizophoraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 226.32
TPSA？: 65.18
MolLogP？: 2.742400000000001
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 |
| 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 |
| None | NON-PROTEIN TARGET | Inhibition | 0.0 | % | 10.1016/j.bmc.2012.01.050 |
| None | NON-PROTEIN TARGET | Inhibition | 26.0 | % | 10.1016/j.bmc.2012.01.050 |