Compound: Toxoflavin
SMILES: O=c1nc-2n(ncnc2c(n1C)=O)C
InChIKey: SLGRAIAQIAUZAQ-UHFFFAOYSA-N
Synonyms: Toxoflavin, 84-82-2, Xanthothricin, Xanthotricin, 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione, 5N5YI4IP1P, 1,6-Dimethylpyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione, NSC-67078, CHEBI:80729, 1,6-Dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, PKF-118-310, SID-4251194, 1,6-Dimethylpyrimido[5,4-E]-1,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethylpyrimido(5,4-e)(1,2,4)triazine-5,7-dione, RefChem:898646, Toxoflavine, PKF118-310, 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, NSC 67078, MLS000087831, 1,6-dimethyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione, NSC67078, 1,6-Dimethyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido(5,4-E)-as-triazine-5,7(1H,6H)-dione, Xanthothricin;Toxoflavine;PKF-118-310, SMR000024051, Pyrimido(5,4-e)-1,2,4-triazine-5,7-(1H,6H)-dione, 1,6-dimethyl-, Xanthothricin (VAN), Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-, UNII-5N5YI4IP1P, GNF-Pf-67, BRN 0021014, Xanthrothricin, 1-methylreumycin, DTXSID00861658, SLGRAIAQIAUZAQ-UHFFFAOYSA-N, MFCD00459812, TOXOFLAVIN [MI], Pyrimido(5,4-e)-as-triazine-5,7-(1H,6H)-dione, 1,6-dimethyl-, 4-26-00-04141 (Beilstein Handbook Reference), cid_66541, CHEMBL578512, NC72, orb1307658, SCHEMBL2260791, BDBM32102, Toxoflavin (PKF118-310)?, HMS2508P06, EX-A1399, MSK14872, 1,6-Dimethyl-pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, STK177197, AKOS006271943, EBC-365065, 1,4-e]-as-triazine-5,7(1H,6H)-dione, HY-100760, CS-0020248, EU-0071380, NS00125338, G12596, Pyrimido[5,7(1H,6H)-dione, 1,6-dimethyl-, PKF118-310, >=98% (HPLC), Pyrimido[5,7-(1H,6H)-dione, 1,6-dimethyl-, US9284299, PKF118-310, Q753328, SR-01000432314, SR-01000432314-1, F0910-1435, Z1198153419, 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-quinone, 1,6-dimethyl-1H-pyrimido[5,6-e][1,2,4]triazine-5,7-dione, Pyrimido[5,2,4-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-, Pyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione, 1,6-dimethyl-, 1,5,6,7-TETRAHYDRO-1,6-DIMETHYLPYRIMIDINO(5,4-E)TRIAZINE-5,7-DIONE, 1,7-dioxo-1,5,6,7-tetrahydropyrimido[5,4-e]-as-triazine-5,7(1H,6H)-dione
Theoretical properties:
molecular_formula: C7H7N5O2
molecular_weight: 193.16 g/mol
exact_mass: 193.05997448 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 14
topological_polar_surface_area: 77.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Toxoflavin is a pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. It has a role as a toxin, an antibacterial agent, an antineoplastic agent, an apoptosis inducer, a virulence factor, a bacterial metabolite and a Wnt signalling inhibitor. It is a pyrimidotriazine and a carbonyl compound. It is functionally related to a reumycin.
chebi: A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-<em>e</em>][1,2,4]triazine with oxo groups at positions 5 and 7.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Toxoflavin is a toxin produced by a variety of bacteria including Burkholderia gladioli.  It also has antibiotic properties.
Toxoflavin acts as a pH indicator, changing between yellow and colorless at pH 10.5.