Aspernigrin A; N1-(2-Hydroxyethyl)
AlkaPlorer ID: AK002679
Synonym: Pestalamide C
IUPAC Name: 6-benzyl-1-(2-hydroxyethyl)-4-oxopyridine-3-carboxamide
Structure
SMILES: N=C(O)C1=CN(CCO)C(CC2=CC=CC=C2)=CC1=O
InChI: InChI=1S/C15H16N2O3/c16-15(20)13-10-17(6-7-18)12(9-14(13)19)8-11-4-2-1-3-5-11/h1-5,9-10,18H,6-8H2,(H2,16,20)
InChIKey: UDMZEYMXXKXZBY-UHFFFAOYSA-N
Reference
PubChem CID: 25158706
LOTUS: LTS0131075
SuperNatural Ⅲ: SN0367522
COCONUT: CNP0196450
{NPAtlas: NPA000048
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 272.30400000000003
TPSA？: 86.31
MolLogP？: 1.31477
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|