2-phenylpyridine
AlkaPlorer ID: AK052412
Synonym: None
IUPAC Name: 2-phenylpyridine
Structure
SMILES: C1=CC=C(C2=CC=CC=N2)C=C1
InChI: InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
InChIKey: VQGHOUODWALEFC-UHFFFAOYSA-N
Reference
New volatile constituents of black tea aroma
PubChem CID: 171436736
CAS: 1008-89-5
LOTUS: LTS0111677
COCONUT: CNP0153884
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus limonia | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 155.19999999999996
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 | 400000.0 | nM | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | HT-29 | IC50 | 400000.0 | nM | 10.1016/j.bmc.2019.01.039 |
| Homo sapiens | MCF7 | IC50 | 1700.0 | nM | 10.1016/j.bmc.2019.01.039 |
| None | No relevant target | pKa | 4.48 | None | 10.1021/jm00226a007 |
| None | Unchecked | Ratio IC50 | 300.0 | None | 10.1016/j.bmc.2019.01.039 |