N-hydroxybenzylanabasine
AlkaPlorer ID: AK012690
Synonym: None
IUPAC Name: 2-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]phenol
Structure
SMILES: OC1=CC=CC=C1CN1CCCC[C@H]1C1=CC=CN=C1
InChI: InChI=1S/C17H20N2O/c20-17-9-2-1-6-15(17)13-19-11-4-3-8-16(19)14-7-5-10-18-12-14/h1-2,5-7,9-10,12,16,20H,3-4,8,11,13H2/t16-/m0/s1
InChIKey: QKGCWXDVBXIISA-INIZCTEOSA-N
Reference
Sesquiterpenes and Alkaloids from the Roots of <i>Alangium chinense</i>
PubChem CID: 29955678
LOTUS: LTS0041497
NPASS: NPC124542
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium chinense | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 268.36
TPSA？: 36.36
MolLogP？: 3.514400000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | Bel-7402 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | HCT-8 | Activity | nan | None | 10.1021/np4000747 |
| Mus musculus | BV-2 | IC50 | 6700.0 | nM | 10.1021/np4000747 |