Fischerellin B
AlkaPlorer ID: AK069193
Synonym: None
IUPAC Name: (3R,5S)-3-methyl-5-[(E)-pentadec-5-en-7,9-diynyl]pyrrolidin-2-one
Structure
SMILES: CCCCCC#CC#C/C=C/CCCC[C@H]1C[C@@H](C)C(=O)N1
InChI: InChI=1S/C20H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(2)20(22)21-19/h11-12,18-19H,3-6,13-17H2,1-2H3,(H,21,22)/b12-11+/t18-,19+/m1/s1
InChIKey: WZFPWAGQPCLSQP-VVZAMHAXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fischerella muscicola | Fischerella | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 299.458
TPSA？: 29.1
MolLogP？: 4.214700000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Candida albicans | Candida albicans | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Chlorocebus sabaeus | Vero | IC50 | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Escherichia coli | Escherichia coli | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 23000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |