(-)-(S)-Edulinine
AlkaPlorer ID: AK002187
Synonym: None
IUPAC Name: 3-[(2S)-3-hydroxy-2,3-dimethylbutyl]-4-methoxy-1-methylquinolin-2-one
Structure
SMILES: C[C@@H](CC1=C(C2=CC=CC=C2N(C1=O)C)OC)C(C)(C)O
InChI: InChI=1S/C17H23NO3/c1-11(17(2,3)20)10-13-15(21-5)12-8-6-7-9-14(12)18(4)16(13)19/h6-9,11,20H,10H2,1-5H3/t11-/m0/s1
InChIKey: KEXXVOZJMMQJHP-NSHDSACASA-N
Reference
PubChem CID: 76308118
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum nitidum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 289.37499999999994
TPSA？: 51.46
MolLogP？: 2.4966000000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | nan | None | 10.1007/s00044-011-9581-9 |
| Homo sapiens | Acetylcholinesterase | Inhibition | 19.4 | % | 10.1007/s00044-011-9581-9 |