Niranin; 2'-Oxo
AlkaPlorer ID: AK041621
Synonym: S-Methyl methyl(phenylacetyl)carbamothioate, Ritigalin
IUPAC Name: S-methyl N-methyl-N-(2-phenylacetyl)carbamothioate
Structure
SMILES: CSC(=O)N(C)C(=O)CC1=CC=CC=C1
InChI: InChI=1S/C11H13NO2S/c1-12(11(14)15-2)10(13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey: VVFAISRLJSZZEB-UHFFFAOYSA-N
Reference
Stress induced carbazole phytoalexins in Glycosmis species
PubChem CID: 10443575
LOTUS: LTS0046080
SuperNatural Ⅲ: SN0401019
NPASS: NPC71140
COCONUT: CNP0213927
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycosmis mauritiana | Glycosmis | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.297
TPSA？: 37.38
MolLogP？: 2.1705
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cladosporium herbarum | Cladosporium herbarum | ED50 | 156.0 | ug ml-1 | 10.1021/np9604238 |
| Spodoptera littoralis | Spodoptera littoralis | EC50 | 0.43 | umol/g | 10.1021/np9604238 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 0.05 | umol/dm'2 | 10.1021/np9604238 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 1.34 | umol/g | 10.1021/np9604238 |