Molecule

(3S,6S)-3-isopropyl-6-methylpiperazine-2,5-dione

AlkaPlorer ID: AK079200

Synonym: None

IUPAC Name: (3S,6S)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

SMILES: CC(C)[C@@H]1N=C(O)[C@H](C)N=C1O

InChI: InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1

InChIKey: ORLDMMKUTCCBSM-WDSKDSINSA-N

PubChem CID: 13783106

LOTUS: LTS0074981

SuperNatural Ⅲ: SN0273314-02

NPASS: NPC194175

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ulva pertusa	Ulva	Ulvaceae	Ulvales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Eschweilera coriacea	Eschweilera	Lecythidaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Panax notoginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pinellia pedatisecta	Pinellia	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvadora persica	Salvadora	Salvadoraceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eucalyptus cladocalyx	Eucalyptus	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus violaceus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Psammosilene tunicoides	Psammosilene	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 170.21199999999996

TPSA？: 65.18

MolLogP？: 1.3261

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Fusobacterium nucleatum	Fusobacterium nucleatum	Inhibition	None	%	10.1016/j.bmc.2018.11.042
Porphyromonas gingivalis	Porphyromonas gingivalis	Inhibition	None	%	10.1016/j.bmc.2018.11.042
Streptococcus mutans	Streptococcus mutans	GI	None	None	10.1016/j.bmc.2018.11.042
Streptococcus mutans	Streptococcus mutans	Inhibition	None	%	10.1016/j.bmc.2018.11.042