Flindersine
AlkaPlorer ID: AK003334
Synonym: None
IUPAC Name: 2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
Structure
SMILES: CC1(C)C=CC2=C(O1)C1=CC=CC=C1N=C2O
InChI: InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)
InChIKey: PXNMNABLQWUMCX-UHFFFAOYSA-N
Reference
Secondary Metabolites and Cytotoxic Activities from the Stem Bark of <i>Zanthoxylum nitidum</i>
PubChem CID: 68230
CAS: 523-64-8
LOTUS: LTS0029273
COCONUT: CNP0289498
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum coco | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 227.263
TPSA？: 42.35
MolLogP？: 3.1246000000000023
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 15.0 | ug | 10.1021/acs.jnatprod.6b00379 |
| Colletotrichum acutatum | Colletotrichum acutatum | GI | nan | None | 10.1021/jf051478v |
| Colletotrichum fragariae | Colletotrichum fragariae | GI | nan | None | 10.1021/jf051478v |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | GI | nan | None | 10.1021/jf051478v |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | Inhibition | 40.0 | % | 10.1021/jf051478v |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | Inhibition | 65.0 | % | 10.1021/jf051478v |
| Diaporthe ampelina | Diaporthe ampelina | GI | nan | None | 10.1021/jf051478v |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 112201.8 | nM | None |
| Fusarium oxysporum | Fusarium oxysporum | GI | nan | None | 10.1021/jf051478v |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 19952.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Phomopsis obscurans | Phomopsis obscurans | GI | nan | None | 10.1021/jf051478v |
| Phomopsis obscurans | Phomopsis obscurans | Inhibition | 80.0 | % | 10.1021/jf051478v |
| Planktothrix agardhii | Planktothrix agardhii | Activity | 100.0 | uM | 10.1021/jf051478v |
| Planktothrix agardhii | Planktothrix agardhii | IC50 | nan | None | 10.1021/jf051478v |
| Planktothrix perornata | Planktothrix perornata | Activity | 10.0 | uM | 10.1021/jf051478v |
| Planktothrix perornata | Planktothrix perornata | Activity | 100.0 | uM | 10.1021/jf051478v |
| Planktothrix perornata | Planktothrix perornata | IC50 | 15900.0 | nM | 10.1021/jf051478v |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Pseudanabaena sp. | Pseudanabaena sp. | Activity | 100.0 | uM | 10.1021/jf051478v |
| Pseudanabaena sp. | Pseudanabaena sp. | IC50 | nan | None | 10.1021/jf051478v |
| Selenastrum capricornutum | Selenastrum capricornutum | Activity | 10.0 | uM | 10.1021/jf051478v |
| Selenastrum capricornutum | Selenastrum capricornutum | Activity | 100.0 | uM | 10.1021/jf051478v |
| Selenastrum capricornutum | Selenastrum capricornutum | IC50 | 17800.0 | nM | 10.1021/jf051478v |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/acs.jnatprod.6b00379 |
| None | No relevant target | Solubility | 67600.0 | nM | 10.6019/CHEMBL3301361 |
| None | Unchecked | Potency | 707.9 | nM | None |