Aspergilliamide B
AlkaPlorer ID: AK289470
Synonym: None
IUPAC Name: [(2E)-1-amino-2-hydroxyimino-4-methyl-1-oxopentan-3-yl] 3-methylbutanoate
Structure
SMILES: CC(C)CC(=O)OC(/C(=N/O)C(=N)O)C(C)C
InChI: InChI=1S/C11H20N2O4/c1-6(2)5-8(14)17-10(7(3)4)9(13-16)11(12)15/h6-7,10,16H,5H2,1-4H3,(H2,12,15)/b13-9-
InChIKey: CYFXYPOYWBHJDO-LCYFTJDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus westerdijkiae | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 244.291
TPSA？: 102.97
MolLogP？: 1.96577
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | K562 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/np400132m |