lumichrome
AlkaPlorer ID: AK005686
Synonym: 'lumichrome', '', 'Riboflavin lumichrome', '7,8-Dimethylalloxazine', '809279-55-8', '1086-80-2', 'LUMICHROME', 'Benzogpteridine-2,4(1H,3H)-dione, 7,8-dimethyl-', 'Alloxazine, 7,8-dimethyl-', 'Lumichrome'
IUPAC Name: 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
Structure
SMILES: CC1=CC2=NC3=NC(O)=NC(O)=C3N=C2C=C1C
InChI: InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKey: ZJTJUVIJVLLGSP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Escherichia coli | Escherichia | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 242.238
TPSA？: 92.02
MolLogP？: 1.6010399999999996
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | -0.84 | % | 10.6019/CHEMBL4296183 |
| Candida albicans | Candida albicans | Inhibition | 0.84 | % | 10.6019/CHEMBL4296183 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -5.45 | % | 10.6019/CHEMBL4296183 |
| Escherichia coli | Escherichia coli | Inhibition | 3.58 | % | 10.6019/CHEMBL4296183 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 12.48 | % | 10.6019/CHEMBL4296183 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 11.55 | % | 10.6019/CHEMBL4296183 |
| Staphylococcus aureus | Sortase A | IC50 | 198200.0 | nM | 10.1021/acs.jmedchem.1c00386 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 0.69 | % | 10.6019/CHEMBL4296183 |