3-hydroxyglyantrypine
AlkaPlorer ID: AK032650
Synonym: None
IUPAC Name: (1S,4R)-1-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: O=C1C2=CC=CC=C2N=C2[C@H](O)N=C(O)[C@@H](CC3=CNC4=CC=CC=C34)N21
InChI: InChI=1S/C20H16N4O3/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/h1-8,10,16,19,21,26H,9H2,(H,23,25)/t16-,19+/m1/s1
InChIKey: YMSZGOBWCXGQOE-APWZRJJASA-N
Reference
Antiviral Alkaloids Produced by the Mangrove-Derived Fungus <i>Cladosporium</i> sp. PJX-41
PubChem CID: 71725293
LOTUS: LTS0270219
NPASS: NPC471192
{NPAtlas: NPA001456
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladosporium sp. | Cladosporium | Cladosporiaceae | Cladosporiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 360.3730000000001
TPSA？: 103.5
MolLogP？: 2.6226000000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Influenza A virus | Influenza A virus | IC50 | 100000.0 | nM | 10.1021/np400200k |