Deoxynyboqionone
AlkaPlorer ID: AK020610
Synonym: 'Deoxynyboqionone', 'Deoxynyboquinone'
IUPAC Name: 1,4,6-trimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
Structure
SMILES: CC1=C2C(=O)C3=C(C(=O)C2=NC(O)=C1)N(C)C(=O)C=C3C
InChI: InChI=1S/C15H12N2O4/c1-6-4-8(18)16-12-10(6)14(20)11-7(2)5-9(19)17(3)13(11)15(12)21/h4-5H,1-3H3,(H,16,18)
InChIKey: KJYPAIRTXRKKHG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 284.271
TPSA？: 89.25999999999999
MolLogP？: 0.8781399999999999
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 12.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |
| Bacillus thuringiensis | Bacillus thuringiensis | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |
| Escherichia coli | Escherichia coli | MIC | 24.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |
| Homo sapiens | 786-0 | GI50 | 54.45 | nM | None |
| Homo sapiens | A498 | GI50 | 214.29 | nM | None |
| Homo sapiens | A549 | EC50 | 250.0 | nM | 10.1021/acs.jnatprod.9b01015 |
| Homo sapiens | A549 | GI50 | 187.93 | nM | None |
| Homo sapiens | ACHN | GI50 | 99.54 | nM | None |
| Homo sapiens | BT-549 | GI50 | 22.8 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 67.76 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 320.63 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 16.18 | nM | None |
| Homo sapiens | DU-145 | GI50 | 23.77 | nM | None |
| Homo sapiens | EKVX | GI50 | 204.64 | nM | None |
| Homo sapiens | Eukaryotic translation initiation factor 4E-binding protein 1 | Inhibition | nan | % | 10.1021/acs.jnatprod.9b01015 |
| Homo sapiens | HCC 2998 | GI50 | 26.06 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 100.23 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 123.03 | nM | None |
| Homo sapiens | HL-60 | GI50 | 153.46 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 51.4 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 26.18 | nM | None |
| Homo sapiens | HT-29 | GI50 | 43.05 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 201.84 | nM | None |
| Homo sapiens | K562 | GI50 | 122.18 | nM | None |
| Homo sapiens | KM12 | GI50 | 67.76 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 121.9 | nM | None |
| Homo sapiens | M14 | GI50 | 14.72 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 1.77 | nM | None |
| Homo sapiens | MCF7 | GI50 | 16.83 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 303.39 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 14.19 | nM | None |
| Homo sapiens | MDA-N | GI50 | 18.45 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 212.32 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 88.92 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 29.31 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 14.16 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 15.89 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 187.07 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 46.03 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 50.82 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 195.43 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 166.34 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 83.18 | nM | None |
| Homo sapiens | PC-3 | EC50 | 150.0 | nM | 10.1021/acs.jnatprod.9b01015 |
| Homo sapiens | PC-3 | GI50 | 157.4 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 329.61 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 137.72 | nM | None |
| Homo sapiens | SF-268 | GI50 | 128.82 | nM | None |
| Homo sapiens | SF-295 | GI50 | 167.49 | nM | None |
| Homo sapiens | SF-539 | GI50 | 20.75 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 20.8 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 19.05 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 15.1 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 182.39 | nM | None |
| Homo sapiens | SN12C | GI50 | 73.96 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 18.49 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 17.62 | nM | None |
| Homo sapiens | SR | GI50 | 125.31 | nM | None |
| Homo sapiens | SW-620 | GI50 | 41.88 | nM | None |
| Homo sapiens | T47D | GI50 | 303.39 | nM | None |
| Homo sapiens | TK-10 | GI50 | 192.31 | nM | None |
| Homo sapiens | U-251 | GI50 | 109.65 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 15.21 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 17.1 | nM | None |
| Homo sapiens | UO-31 | GI50 | 167.49 | nM | None |
| Micrococcus luteus | Micrococcus luteus | MIC | 12.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |
| Mycolicibacterium aurum | Mycolicibacterium aurum | MIC | 24.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 24.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |
| Salmonella enterica | Salmonella enterica | MIC | 24.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00235 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 12.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b01015 |