(+)-Flavipucine
AlkaPlorer ID: AK051534
Synonym: '(+)-flavipucine', '(-)-flavipucine'
IUPAC Name: (2R,3R)-6-methyl-2-(3-methylbutanoyl)-1-oxa-7-azaspiro[2.5]oct-5-ene-4,8-dione
Structure
SMILES: CC1=CC(=O)[C@@]2(O[C@H]2C(=O)CC(C)C)C(O)=N1
InChI: InChI=1S/C12H15NO4/c1-6(2)4-8(14)10-12(17-10)9(15)5-7(3)13-11(12)16/h5-6,10H,4H2,1-3H3,(H,13,16)/t10-,12-/m0/s1
InChIKey: DWCXXICTUDDKTB-JQWIXIFHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavipes | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 237.255
TPSA？: 79.26
MolLogP？: 1.1822
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria solani | Alternaria solani | MIC | 50.0 | ug.mL-1 | 10.1021/jm00176a019 |
| Aspergillus niger | Aspergillus niger | MIC | 100.0 | ug.mL-1 | 10.1021/jm00176a019 |
| Bacillus subtilis | Bacillus subtilis | MBC | 8.0 | ug ml-1 | 10.1016/j.bmcl.2019.03.034 |
| Bacillus subtilis | Bacillus subtilis | MIC | 8.0 | ug.mL-1 | 10.1016/j.bmcl.2019.03.034 |
| Bordetella bronchiseptica | Bordetella bronchiseptica | MIC | 50.0 | ug.mL-1 | 10.1021/jm00176a019 |
| Escherichia coli | Escherichia coli | MBC | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Escherichia coli | Escherichia coli | MIC | 50.0 | ug.mL-1 | 10.1021/jm00176a019 |
| Escherichia coli | Escherichia coli | MIC | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | A549 | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | HCT-116 | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | HEK293 | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | HeLa | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | HL-60 | IC50 | 1600.0 | nM | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | Jurkat | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | MRC5 | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Homo sapiens | TE-8 | IC50 | nan | None | 10.1016/j.bmcl.2019.03.034 |
| Klebsiella aerogenes | Klebsiella aerogenes | MIC | 100.0 | ug.mL-1 | 10.1021/jm00176a019 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 6.3 | ug.mL-1 | 10.1021/jm00176a019 |
| Proteus vulgaris | Proteus vulgaris | MIC | 6.3 | ug.mL-1 | 10.1021/jm00176a019 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 100.0 | ug.mL-1 | 10.1021/jm00176a019 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6.3 | ug.mL-1 | 10.1021/jm00176a019 |