Nannozinone B
AlkaPlorer ID: AK077451
Synonym: 'Nannozinone B'
IUPAC Name: 4-acetyl-3-benzyl-2H-pyrrolo[1,2-a]pyrazin-1-one
Structure
SMILES: CC(=O)C1=C(CC2=CC=CC=C2)N=C(O)C2=CC=CN12
InChI: InChI=1S/C16H14N2O2/c1-11(19)15-13(10-12-6-3-2-4-7-12)17-16(20)14-8-5-9-18(14)15/h2-9H,10H2,1H3,(H,17,20)
InChIKey: NHLSUHWCECGWQN-UHFFFAOYSA-N
Reference
Nannozinones and Sorazinones, Unprecedented Pyrazinones from Myxobacteria
PubChem CID: 101889903
LOTUS: LTS0227470
COCONUT: CNP0353296
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nannocystis pusilla | Nannocystis | Nannocystaceae | Nannocystales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 266.3
TPSA？: 54.6
MolLogP？: 2.8333000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Chromobacterium violaceum | Chromobacterium violaceum | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Escherichia coli | Escherichia coli | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Homo sapiens | A-431 | IC50 | 8450.0 | nM | 10.1021/np500632c |
| Homo sapiens | A549 | IC50 | 8700.0 | nM | 10.1021/np500632c |
| Homo sapiens | HUVEC | IC50 | 15500.0 | nM | 10.1021/np500632c |
| Homo sapiens | MCF7 | IC50 | 14100.0 | nM | 10.1021/np500632c |
| Mucor hiemalis | Mucor hiemalis | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Mus musculus | L929 | IC50 | 37600.0 | nM | 10.1021/np500632c |
| Mycolicibacterium diernhoferi | Mycolicibacterium diernhoferi | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Nocardia sp. | Nocardia sp. | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Paenibacillus polymyxa | Paenibacillus polymyxa | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| Wickerhamomyces anomalus | Wickerhamomyces anomalus | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |
| None | NON-PROTEIN TARGET | IC50 | 2400.0 | nM | 10.1021/np500632c |
| None | NON-PROTEIN TARGET | IC50 | 5300.0 | nM | 10.1021/np500632c |
| None | NON-PROTEIN TARGET | IC50 | 16900.0 | nM | 10.1021/np500632c |
| None | NON-PROTEIN TARGET | MIC | 66.6 | ug.mL-1 | 10.1021/np500632c |