Anabasamine
AlkaPlorer ID: AK287837
Synonym: 5-(1-Methyl-2-piperidinyl)-2,3'-bipyridine
IUPAC Name: 5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine
Structure
SMILES: CN1CCCCC1C1=CC=C(C2=CC=CN=C2)N=C1
InChI: InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3
InChIKey: TZRDBHMKTWECOV-UHFFFAOYSA-N
Reference
Quantitative determination of the alkaloids ofAnabasis aphylla by thin-layer chromatography
PubChem CID: 161313
CAS: 20410-87-1
LOTUS: LTS0068133
COCONUT: CNP0103666.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabasis aphylla | Anabasis | Chenopodiaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 253.349
TPSA？: 29.020000000000003
MolLogP？: 3.3004000000000016
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 19952.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |