7-Isothiocyanato-1-heptene
AlkaPlorer ID: AK102211
Synonym: 6-Heptenyl isothiocyanate
IUPAC Name: 7-isothiocyanatohept-1-ene
Structure
SMILES: C=CCCCCCN=C=S
InChI: InChI=1S/C8H13NS/c1-2-3-4-5-6-7-9-8-10/h2H,1,3-7H2
InChIKey: WZXOJFDWZWNRLN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Japonica | Lycaenidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 155.266
TPSA？: 12.36
MolLogP？: 2.835600000000001
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 | 1050.0 | nM | 10.1021/acs.jnatprod.5b00272 |
| Homo sapiens | Transient receptor potential cation channel subfamily A member 1 | max activation | 90.0 | % | 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 |