goitrin
AlkaPlorer ID: AK012542
Synonym: None
IUPAC Name: (5R)-5-ethenyl-1,3-oxazolidine-2-thione
Structure
SMILES: C=C[C@@H]1CN=C(S)O1
InChI: InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1
InChIKey: UZQVYLOFLQICCT-SCSAIBSYSA-N
Reference
Isolation of goitrin from rape and an investigation of its PMR spectrum
PubChem CID: 3032313
CAS: 1072-93-1
LOTUS: LTS0232816
SuperNatural Ⅲ: SN0384450-02
NPASS: NPC168129
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
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 | 62.0 | nmol | 10.1021/np50059a008 |
| Lactuca sativa | Lactuca sativa | Activity | 40.0 | % | 10.1021/jf000736f |
| Lactuca sativa | Lactuca sativa | Activity | nan | None | 10.1021/jf000736f |