Quinadoline A
AlkaPlorer ID: AK071273
Synonym: None
IUPAC Name: (4R)-4-[[(3aR,4S)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-ylidene-4H-pyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: CC(C)=C1NC(=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/C27H27N5O4/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/h5-12,19,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,24-,27+/m1/s1
InChIKey: LCHQPVCRYDVSTJ-BRBPODBZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scedosporium apiospermum | Scedosporium | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Cladosporium sp. | Cladosporium | Cladosporiaceae | Cladosporiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 485.5440000000002
TPSA？: 116.56
MolLogP？: 2.1507
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
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 |
| Mus musculus | 3T3-L1 | Activity | nan | None | 10.1021/acs.jnatprod.9b01096 |
| Mus musculus | 3T3-L1 | EC50 | 2340.0 | nM | 10.1021/acs.jnatprod.9b01096 |