Coniine
AlkaPlorer ID: AK002483
Synonym: None
IUPAC Name: (2S)-2-propylpiperidine
Structure
SMILES: CCC[C@H]1CCCCN1
InChI: InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKey: NDNUANOUGZGEPO-QMMMGPOBSA-N
Reference
A chlorinated amide and piperidine alkaloids from Aloe sabaea
Biosynthesis and metabolism of the hemlock alkaloids
PubChem CID: 441072
CAS: 458-88-8
LOTUS: LTS0067133
SuperNatural Ⅲ: SN0242532-02
NPASS: NPC167301
Source
Properties Information
Molecule Weight: 127.231
TPSA？: 12.03
MolLogP？: 1.9286
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 105.34 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 100.13 | % | 10.1124/mol.112.084152 |
| Musca domestica | Nicotinic acetylcholine receptor alpha 5 subunit | Ki | 1000000.0 | nM | 10.1584/jpestics.17.4_231 |
| Torpedo californica | Acetylcholine receptor protein alpha chain | Activity | nan | None | 10.1584/jpestics.20.49 |
| Torpedo californica | Acetylcholine receptor protein alpha chain | IC50 | 30500.0 | nM | 10.1584/jpestics.20.49 |
| Torpedo californica | Acetylcholine receptor protein alpha chain | IC50 | 1027000.0 | nM | 10.1584/jpestics.20.49 |
| None | Unchecked | IC50 | 5560.0 | nM | 10.1584/jpestics.20.57 |
| None | Unchecked | IC50 | 166000.0 | nM | 10.1584/jpestics.20.57 |
| None | Unchecked | Ki | 262000.0 | nM | 10.1584/jpestics.17.4_231 |