Montipyridine
AlkaPlorer ID: AK591832
Synonym: None
IUPAC Name: 2-(4-methoxy-2-non-8-enylpyridin-1-ium-1-yl)acetate
Structure
SMILES: C=CCCCCCCCC1=CC(OC)=CC=[N+]1CC(=O)[O-]
InChI: InChI=1S/C17H25NO3/c1-3-4-5-6-7-8-9-10-15-13-16(21-2)11-12-18(15)14-17(19)20/h3,11-13H,1,4-10,14H2,2H3
InChIKey: ZIWFPGDHJIFGNS-UHFFFAOYSA-N
Reference
Montipyridine, a New Pyridinium Alkaloid from the Stony Coral <i>Montipora</i> Species
PubChem CID: 10062882
LOTUS: LTS0094831
SuperNatural Ⅲ: SN0471559
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Acroporidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 291.3910000000001
TPSA？: 53.24
MolLogP？: 1.8017
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 30.0 | ug ml-1 | 10.1021/np0100892 |
| Homo sapiens | HCT-15 | ED50 | 30.0 | ug ml-1 | 10.1021/np0100892 |
| Homo sapiens | SK-MEL-2 | ED50 | 30.0 | ug ml-1 | 10.1021/np0100892 |
| Homo sapiens | SK-OV-3 | ED50 | 30.0 | ug ml-1 | 10.1021/np0100892 |
| Homo sapiens | XF498 | ED50 | 30.0 | ug ml-1 | 10.1021/np0100892 |