Meleagrin
AlkaPlorer ID: AK426457
Synonym: None
IUPAC Name: (14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Structure
SMILES: C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C/C4=CN=CN4)C(O)=NC31N(OC)C1=CC=CC=C12
InChI: InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+
InChIKey: JTJJJLSLKZFEPJ-LICLKQGHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium chrysogenum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 433.4680000000001
TPSA？: 114.28
MolLogP？: 3.1902000000000017
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Enoyl-[acyl-carrier-protein] reductase | IC50 | 33200.0 | nM | 10.1016/j.ejmech.2020.112757 |
| Staphylococcus aureus | Enoyl-[acyl-carrier-protein] reductase (FabI) | IC50 | 40100.0 | nM | 10.1016/j.ejmech.2020.112757 |