Aspernigrin B
AlkaPlorer ID: AK017912
Synonym: None
IUPAC Name: 6-benzyl-1-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carboxamide
Structure
SMILES: COC1=CC(=O)OC([C@H](CC2=CC=CC=C2)N2C=C(C(=N)O)C(=O)C=C2CC2=CC=CC=C2)=C1
InChI: InChI=1S/C27H24N2O5/c1-33-21-15-25(34-26(31)16-21)23(13-19-10-6-3-7-11-19)29-17-22(27(28)32)24(30)14-20(29)12-18-8-4-2-5-9-18/h2-11,14-17,23H,12-13H2,1H3,(H2,28,32)/t23-/m0/s1
InChIKey: CPVCVIXCXKPURM-QHCPKHFHSA-N
Reference
New Natural Products from the Sponge-Derived Fungus <i>Aspergillus niger</i>.
PubChem CID: 126456438
LOTUS: LTS0103253
NPASS: NPC322437
{NPAtlas: NPA018322
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 456.49800000000016
TPSA？: 105.52
MolLogP？: 4.1163700000000025
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | None | None | 10.1016/j.bmcl.2015.12.005 |