Zanthodioline
AlkaPlorer ID: AK005625
Synonym: ''
IUPAC Name: (3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
Structure
SMILES: COC1=CC=CC2=C1N(C)C(=O)C1=C2OC(C)(C)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3/t12-,14+/m1/s1
InChIKey: GQGXEILPTLCMFO-OCCSQVGLSA-N
Reference
Pyranoquinoline alkaloids from Zanthoxylum simulans
PubChem CID: 5315424
LOTUS: LTS0276313
SuperNatural Ⅲ: SN0112516-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum simulans | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.33
TPSA？: 80.92
MolLogP？: 1.1123999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
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 | 34.4 | % | 10.1007/s00044-011-9581-9 |