Scequinadoline A
AlkaPlorer ID: AK060462
Synonym: None
IUPAC Name: (1S,4R)-4-[[(3aS,4R)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[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(C)(C)N[C@@H]32)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24+,27-/m1/s1
InChIKey: VHQZIMAMLQIPDR-MYLOTTRVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scedosporium apiospermum | Scedosporium | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.5600000000002
TPSA？: 120.05
MolLogP？: 2.9372000000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Dengue virus | Dengue virus | Activity | 50.0 | % | 10.1016/j.ejmech.2020.112790 |
| dengue virus type 2 | dengue virus type 2 | EC50 | 4730.0 | nM | 10.1016/j.bmc.2021.116366 |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 128600.0 | nM | 10.1016/j.ejmech.2020.112945 |