Deoxyneo-beta-hydroxyaspergillic acid
AlkaPlorer ID: AK008651
Synonym: None
IUPAC Name: 6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
Structure
SMILES: CC(C)CC1=NC=C(CC(C)(C)O)NC1=O
InChI: InChI=1S/C12H20N2O2/c1-8(2)5-10-11(15)14-9(7-13-10)6-12(3,4)16/h7-8,16H,5-6H2,1-4H3,(H,14,15)
InChIKey: LFPVONRFFDDQNC-UHFFFAOYSA-N
Reference
Isolation of a New Type of Pyrazine Metabolite from Aspergillus ochraceus WILH.
PubChem CID: 53438794
CAS: 40034-14-8
LOTUS: LTS0234162
COCONUT: CNP0351682
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 224.304
TPSA？: 65.98
MolLogP？: 1.2817999999999996
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|