ASPERGILLIC ACID, HYDROXY
AlkaPlorer ID: AK010546
Synonym: 'SMR001797538', 'MLS002919939', 'MLSMR', 'ASPERGILLIC ACID, HYDROXY', 'Aspergillic acid, hydroxy-'
IUPAC Name: 1-hydroxy-6-[(2S)-2-hydroxybutan-2-yl]-3-(2-methylpropyl)pyrazin-2-one
Structure
SMILES: CC[C@](C)(O)C1=CN=C(CC(C)C)C(=O)N1O
InChI: InChI=1S/C12H20N2O3/c1-5-12(4,16)10-7-13-9(6-8(2)3)11(15)14(10)17/h7-8,16-17H,5-6H2,1-4H3/t12-/m0/s1
InChIKey: ARNQMQXMJRUMRP-LBPRGKRZSA-N
Reference
545. Synthesis of flavacol, a metabolic product of Aspergillus flavus
PubChem CID: 92163809
LOTUS: LTS0206801
SuperNatural Ⅲ: SN0013440-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 240.303
TPSA？: 75.35000000000001
MolLogP？: 1.2966
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|