5-Vinyl-2-oxazolidinethione; (ξ)-form
AlkaPlorer ID: AK317718
Synonym: Goitridin
IUPAC Name: 5-ethenyl-1,3-oxazolidine-2-thione
Structure
SMILES: C=CC1CN=C(S)O1
InChI: InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
InChIKey: UZQVYLOFLQICCT-UHFFFAOYSA-N
Reference
Alkaloids from Crambe kotschyana endemic to Uzbekistan
PubChem CID: 3034683
CAS: 13190-34-6
LOTUS: LTS0052381
NPASS: NPC43087
COCONUT: CNP0252373.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 129.184
TPSA？: 21.59
MolLogP？: 0.857
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Dopamine beta-hydroxylase | Activity | 49.0 | nmol | 10.1021/np50059a008 |
| Bos taurus | Dopamine beta-hydroxylase | Activity | 77.0 | nmol | 10.1021/np50059a008 |
| Bos taurus | Dopamine beta-hydroxylase | Inhibition | 55.0 | % | 10.1021/np50059a008 |
| Bos taurus | Dopamine beta-hydroxylase | Inhibition | 78.0 | % | 10.1021/np50059a008 |
| Rattus norvegicus | Brain | Drug uptake | 21.0 | ug/g | 10.1021/np50059a008 |
| Rattus norvegicus | Heart | Drug uptake | 22.3 | ug/g | 10.1021/np50059a008 |
| Rattus norvegicus | Rattus norvegicus | Activity | 0.071 | ug/g | 10.1021/np50059a008 |
| Rattus norvegicus | Rattus norvegicus | Activity | 0.092 | ug/g | 10.1021/np50059a008 |
| Rattus norvegicus | Rattus norvegicus | Activity | 0.158 | ug/g | 10.1021/np50059a008 |
| Rattus norvegicus | Rattus norvegicus | Activity | 0.249 | ug/g | 10.1021/np50059a008 |
| Rattus norvegicus | Rattus norvegicus | Activity | 10.0 | ug/g | 10.1021/np50059a008 |