Molecule

Cladoquinazoline

AlkaPlorer ID: AK089822

Synonym: None

IUPAC Name: (1R,4R)-4-[[(3R)-3-hydroxy-2-oxo-1H-indol-3-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)C(O)=NC3=CC=CC=C32)N2C1=NC1=CC=CC=C1C2=O

InChI: InChI=1S/C23H22N4O4/c1-12(2)18-19-24-15-9-5-3-7-13(15)21(29)27(19)17(20(28)26-18)11-23(31)14-8-4-6-10-16(14)25-22(23)30/h3-10,12,17-18,31H,11H2,1-2H3,(H,25,30)(H,26,28)/t17-,18-,23-/m1/s1

InChIKey: AXQQCFJZSGWPAR-PMAPCBKXSA-N

Reference

Antiviral Alkaloids Produced by the Mangrove-Derived Fungus <i>Cladosporium</i> sp. PJX-41

PubChem CID: 71725620

LOTUS: LTS0164853

NPASS: NPC471195

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NPAtlas: NPA011352

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cladosporium sp.	Cladosporium	Cladosporiaceae	Cladosporiales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 418.45300000000015

TPSA？: 120.3

MolLogP？: 3.484300000000002

Number of H-Donors: 3

Number of H-Acceptors: 6

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