1,3-dihydroxy-4-({9-hydroxy-2-methyl-3-oxo-1H,2H,3H,9H,9aH-imidazo[1,2-a]indol-9-yl}methyl)-1-methyl-1H,4H,6H-pyrazino[2,1-b]quinazolin-6-one
AlkaPlorer ID: AK137910
Synonym: None
IUPAC Name: (1R,4R)-4-[[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-hydroxy-1-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: C[C@@H]1N[C@H]2N(C1=O)C1=CC=CC=C1[C@@]2(O)C[C@@H]1C(O)=N[C@](C)(O)C2=NC3=CC=CC=C3C(=O)N21
InChI: InChI=1S/C24H23N5O5/c1-12-19(31)28-16-10-6-4-8-14(16)24(34,22(28)25-12)11-17-18(30)27-23(2,33)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25,33-34H,11H2,1-2H3,(H,27,30)/t12-,17+,22-,23+,24-/m0/s1
InChIKey: QGTGJHYSECYMPA-QPPKQEJQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 461.4780000000002
TPSA？: 140.28000000000003
MolLogP？: 1.015
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria alternata | Alternaria alternata | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Alternaria solani | Alternaria solani | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Artemia salina | Artemia salina | LC50 | 80.8 | ug.mL-1 | 10.1021/jf300146n |
| Botrytis cinerea | Botrytis cinerea | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium graminearum | Fusarium graminearum | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium oxysporum f. sp. niveum | Fusarium oxysporum f. sp. niveum | MIC | 50.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium oxysporum f. sp. vasinfectum | Fusarium oxysporum f. sp. vasinfectum | MIC | 50.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium solani | Fusarium solani | MIC | 100.0 | ug.mL-1 | 10.1021/jf300146n |
| Mythimna separata | Mythimna separata | AFI | 7.5 | % | 10.1021/jf300146n |