Deg-Pyrasplorine B
AlkaPlorer ID: AK000902
Synonym: None
IUPAC Name: (E)-4-[(3S,6R)-9-[(2R)-butan-2-yl]-3-hydroxy-2,4,7-trioxo-6-propan-2-yl-6,8-dihydro-1H-pyrazino[1,2-a]pyrimidin-3-yl]-3-methoxybut-2-enal
Structure
SMILES: CC[C@@H](C)C1=C2NC(=O)[C@](C(=O)N2[C@@H](C(=O)N1)C(C)C)(C/C(=C\C=O)/OC)O
InChI: InChI=1S/C19H27N3O6/c1-6-11(4)13-15-21-17(25)19(27,9-12(28-5)7-8-23)18(26)22(15)14(10(2)3)16(24)20-13/h7-8,10-11,14,27H,6,9H2,1-5H3,(H,20,24)(H,21,25)/b12-7+/t11-,14-,19+/m1/s1
InChIKey: VBQCSPCFPGTXLE-SVOHKDHASA-N
Reference
Pyrazinopyrimidine alkaloids from a mangrove-derived fungus Aspergillus versicolor HDN11-84
PubChem CID: 168269539
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus versicolor | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 393.44000000000017
TPSA？: 125.04000000000002
MolLogP？: 0.16480000000000078
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Influenza A virus | Influenza A virus | IC50 | 50000.0 | nM | 10.1016/j.ejmech.2022.114117 |