2-hydroxy-3-methyl-5-(methylamino)cyclohexa-2_5-diene-1_4-dione
AlkaPlorer ID: AK006825
Synonym: '6-hydroxy-5-methyl-3-(methylamino)cyclohexa-2_5-diene-1_4-dione'
IUPAC Name: 4-hydroxy-3-methyl-5-(methylamino)cyclohexa-3,5-diene-1,2-dione
Structure
SMILES: CNC1=CC(=O)C(O)=C(C)C1=O
InChI: InChI=1S/C8H9NO3/c1-4-7(11)5(9-2)3-6(10)8(4)12/h3,9,12H,1-2H3
InChIKey: ZGITUQPDWVLERE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria feejeensis | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 167.164
TPSA？: 66.4
MolLogP？: 0.0734999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|