Azacoccone E
AlkaPlorer ID: AK110618
Synonym: None
IUPAC Name: methyl (2S)-2-(5,6,7-trihydroxy-4-methyl-3-oxo-1H-isoindol-2-yl)propanoate
Structure
SMILES: COC(=O)[C@H](C)N1CC2=C(O)C(O)=C(O)C(C)=C2C1=O
InChI: InChI=1S/C13H15NO6/c1-5-8-7(10(16)11(17)9(5)15)4-14(12(8)18)6(2)13(19)20-3/h6,15-17H,4H2,1-3H3/t6-/m0/s1
InChIKey: LEKZUYHQMFKATF-LURJTMIESA-N
Reference
Azacoccones A − E, five new aza-epicoccone derivatives from Aspergillus flavipes
PubChem CID: 146684268
LOTUS: LTS0082224
{NPAtlas: NPA028069
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavipes | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 281.264
TPSA？: 107.3
MolLogP？: 0.6291199999999997
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | D-3-phosphoglycerate dehydrogenase | IC50 | 9760.0 | nM | 10.1016/j.ejmech.2021.113379 |
| Homo sapiens | D-3-phosphoglycerate dehydrogenase | Kd | 15200.0 | nM | 10.1016/j.ejmech.2021.113379 |