6-Isothiocyanato-1-hexene
AlkaPlorer ID: AK102225
Synonym: 5-Hexenyl isothiocyanate, FEMA 4421
IUPAC Name: 6-isothiocyanatohex-1-ene
Structure
SMILES: C=CCCCCN=C=S
InChI: InChI=1S/C7H11NS/c1-2-3-4-5-6-8-7-9/h2H,1,3-6H2
InChIKey: WRFHVMFZOJHYGN-UHFFFAOYSA-N
Reference
Isothiocyanates in the stems and the leaves of wasabi (Wasabia japonica Matsum).
PubChem CID: 184852
CAS: 49776-81-0
LOTUS: LTS0036716
COCONUT: CNP0002692
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Raphanus sativus | Raphanus | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Japonica | Lycaenidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 141.239
TPSA？: 12.36
MolLogP？: 2.445500000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Transient receptor potential cation channel subfamily A member 1 | Activity | nan | None | 10.1021/acs.jnatprod.5b00272 |
| Homo sapiens | Transient receptor potential cation channel subfamily A member 1 | EC50 | 1040.0 | nM | 10.1021/acs.jnatprod.5b00272 |
| Homo sapiens | Transient receptor potential cation channel subfamily A member 1 | max activation | 93.0 | % | 10.1021/acs.jnatprod.5b00272 |
| Homo sapiens | Vanilloid receptor | Activity | nan | None | 10.1021/acs.jnatprod.5b00272 |
| Homo sapiens | Vanilloid receptor | EC50 | nan | None | 10.1021/acs.jnatprod.5b00272 |
| Homo sapiens | Vanilloid receptor | max activation | nan | None | 10.1021/acs.jnatprod.5b00272 |
| Mus musculus | Transient receptor potential cation channel subfamily M member 8 | Activity | nan | None | 10.1021/acs.jnatprod.5b00272 |
| None | ADMET | Activity | nan | None | 10.1021/acs.jnatprod.5b00272 |