Pyridine, 3‐phenyl‐
AlkaPlorer ID: AK048840
Synonym: None
IUPAC Name: 3-phenylpyridine
Structure
SMILES: C1=CC=C(C2=CC=CN=C2)C=C1
InChI: InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N
Reference
New volatile constituents of black tea aroma
PubChem CID: 13886
CAS: 1008-88-4
LOTUS: LTS0014787
COCONUT: CNP0398040
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus limonia | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 155.2
TPSA？: 12.89
MolLogP？: 2.7486000000000006
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 321000.0 | nM | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | Activity | 34.0 | % | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | Activity | 35.0 | % | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | Activity | 42.0 | % | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | Activity | 56.0 | % | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | Activity | 60.0 | % | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | IC50 | 400000.0 | nM | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | Indoleamine 2,3-dioxygenase | IC50 | 161000.0 | nM | 10.1021/jm800512z |
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | nan | % | 10.1021/acs.jmedchem.0c01968 |
| Homo sapiens | MCF7 | IC50 | 400000.0 | nM | 10.1016/j.bmc.2019.01.039 |
| Rattus norvegicus | Dopamine receptor | ED50 | nan | umol.kg-1 | 10.1021/jm00144a021 |
| None | Unchecked | Ratio IC50 | 1.0 | None | 10.1016/j.bmc.2019.01.039 |