Aspernigrin B
AlkaPlorer ID: AK060627
Synonym: None
IUPAC Name: 4-benzyl-1-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
Structure
SMILES: COC1=CC(=O)OC([C@H](CC2=CC=CC=C2)N2C=C(C(=N)O)C(CC3=CC=CC=C3)=CC2=O)=C1
InChI: InChI=1S/C27H24N2O5/c1-33-21-15-24(34-26(31)16-21)23(13-19-10-6-3-7-11-19)29-17-22(27(28)32)20(14-25(29)30)12-18-8-4-2-5-9-18/h2-11,14-17,23H,12-13H2,1H3,(H2,28,32)/t23-/m0/s1
InChIKey: ZLLURFBMQBIVMQ-QHCPKHFHSA-N
Reference
New Natural Products from the Sponge-Derived Fungus<i>Aspergillus n</i><i>iger</i>
PubChem CID: 11775447
LOTUS: LTS0057072
SuperNatural Ⅲ: SN0473600-01
NPASS: NPC77992
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 |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | nan | None | 10.1021/np030551d |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np030551d |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np030551d |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np030551d |
| Rattus norvegicus | Cortical neurone | Activity | 23.5 | % | 10.1021/np030551d |
| Rattus norvegicus | Cortical neurone | Activity | 25.5 | % | 10.1021/np030551d |
| Rattus norvegicus | Cortical neurone | Activity | 33.6 | % | 10.1021/np030551d |
| Rattus norvegicus | Cortical neurone | Activity | 55.0 | % | 10.1021/np030551d |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np030551d |