ImDKP
AlkaPlorer ID: AK031678
Synonym: None
IUPAC Name: (3S,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
Structure
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O
InChI: InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7-/m0/s1
InChIKey: DBJPZCJQDRPOME-BQBZGAKWSA-N
Reference
PubChem CID: 13879946
LOTUS: LTS0010577
SuperNatural Ⅲ: SN0061224-01
NPASS: NPC87359
{NPAtlas: NPA014068
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces praecox | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Panax notoginseng | Panax | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 184.239
TPSA？: 58.2
MolLogP？: 0.0356000000000001
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 |