(14S)-oxoglyantrypine
AlkaPlorer ID: AK032267
Synonym: None
IUPAC Name: (4S)-4-(1H-indol-3-ylmethyl)-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione
Structure
SMILES: O=C1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C20H14N4O3/c25-18-16(9-11-10-21-14-7-3-1-5-12(11)14)24-17(19(26)23-18)22-15-8-4-2-6-13(15)20(24)27/h1-8,10,16,21H,9H2,(H,23,25,26)/t16-/m0/s1
InChIKey: PRYGKAJEGXTQNF-INIZCTEOSA-N
Reference
Antiviral Alkaloids Produced by the Mangrove-Derived Fungus <i>Cladosporium</i> sp. PJX-41
PubChem CID: 71725701
LOTUS: LTS0157332
NPASS: NPC471194
{NPAtlas: NPA008141
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladosporium sp. | Cladosporium | Cladosporiaceae | Cladosporiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 358.3570000000001
TPSA？: 100.34
MolLogP？: 2.7719000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Influenza A virus | Influenza A virus | IC50 | 82000.0 | nM | 10.1016/j.ejmech.2022.114117 |
| Influenza A virus | Influenza A virus | IC50 | 85000.0 | nM | 10.1021/np400200k |