2-hydroxy-N-hydroxybenzylanabasine
AlkaPlorer ID: AK139450
Synonym: None
IUPAC Name: (2S)-1-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylpiperidin-2-ol
Structure
SMILES: OC1=CC=CC=C1CN1CCCC[C@]1(O)C1=CC=CN=C1
InChI: InChI=1S/C17H20N2O2/c20-16-8-2-1-6-14(16)13-19-11-4-3-9-17(19,21)15-7-5-10-18-12-15/h1-2,5-8,10,12,20-21H,3-4,9,11,13H2/t17-/m0/s1
InChIKey: BBKITNAKQHKIJO-KRWDZBQOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium chinense | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 284.359
TPSA？: 56.59
MolLogP？: 2.618400000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | Activity | None | None | 10.1021/np4000747 |
| Homo sapiens | A549 | Activity | None | None | 10.1021/np4000747 |
| Homo sapiens | Bel-7402 | Activity | None | None | 10.1021/np4000747 |
| Homo sapiens | BGC-823 | Activity | None | None | 10.1021/np4000747 |
| Homo sapiens | HCT-8 | Activity | None | None | 10.1021/np4000747 |