Neofiscalin A
AlkaPlorer ID: AK056416
Synonym: None
IUPAC Name: (1S,4R)-4-[[(2R,3aR,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](C[C@]2(O)C3=CC=CC=C3N3C(=O)[C@@H](C)N[C@H]32)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C26H27N5O4/c1-13(2)20-21-28-17-10-6-4-8-15(17)24(34)30(21)19(22(32)29-20)12-26(35)16-9-5-7-11-18(16)31-23(33)14(3)27-25(26)31/h4-11,13-14,19-20,25,27,35H,12H2,1-3H3,(H,29,32)/t14-,19-,20+,25-,26+/m1/s1
InChIKey: KGYYECCJAXZXMH-YUPJTPIFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 473.5330000000002
TPSA？: 120.05
MolLogP？: 2.5471000000000004
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | BIC | 168.9 | uM | 10.1016/j.ejmech.2020.112945 |
| Staphylococcus aureus | Staphylococcus aureus | BIC | 202.7 | uM | 10.1016/j.ejmech.2020.112945 |