1.0 2010-04-08 22:14:39 UTC 2019-11-26 03:17:59 UTC FDB019885 6,8-Purinediol Component of hen egg yolk 6,8-Dihydroxypurine is an endogenous nucleoside found in human fluids. Purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When chemical bonds to DNA, the DNA becomes damaged and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. (PMID: 3506820, 17044778, 17264127, 16799933) [HMDB] 6,8-Dihydroxypurine 7,9-Dihydro-1H-purine-6,8-dione 7,9-Dihydro-8H-purin-8-one 8-Oxohypoxanthine Purine-6,8-diol Purine-6,8-dione Purine-6,8(1H,9H)-dione C25H20N20O10 760.5543 760.16712696 pentakis(9H-purine-6,8-diol) pentakis(purine-6,8-dione) 13231-00-0 OC1=NC2=C(N1)NC=NC2=O.OC1=NC2=C(N1)N=CN=C2O.OC1=NC2=C(O)N=CNC2=N1.O=C1NC2=C(N1)C(=O)N=CN2.O=C1NC2=C(N1)C(=O)NC=N2 InChI=1S/5C5H4N4O2/c5*10-4-2-3(6-1-7-4)9-5(11)8-2/h5*1H,(H3,6,7,8,9,10,11) ZHWYDMYXJSUNAJ-UHFFFAOYSA-N belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Hypoxanthines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 6-oxopurines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrimidones Ureas Vinylogous amides 6-oxopurine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidine Pyrimidone Urea Vinylogous amide Solid logp -0.69 ALOGPS logs -1.27 ALOGPS solubility 8.19e+00 g/l ALOGPS melting_point Mp 350° logp 0.38 ChemAxon pka_strongest_acidic 8.38 ChemAxon pka_strongest_basic -0.68 ChemAxon iupac pentakis(9H-purine-6,8-diol) ChemAxon average_mass 760.5543 ChemAxon mono_mass 760.16712696 ChemAxon smiles OC1=NC2=C(N1)NC=NC2=O.OC1=NC2=C(N1)N=CN=C2O.OC1=NC2=C(O)N=CNC2=N1.O=C1NC2=C(N1)C(=O)N=CN2.O=C1NC2=C(N1)C(=O)NC=N2 ChemAxon formula C25H20N20O10 ChemAxon inchi InChI=1S/5C5H4N4O2/c5*10-4-2-3(6-1-7-4)9-5(11)8-2/h5*1H,(H3,6,7,8,9,10,11) ChemAxon inchikey ZHWYDMYXJSUNAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 94.92 ChemAxon refractivity 35.33 ChemAxon polarizability 13.02 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB01182 #<Reference:0x000055ce333ac440> #<Reference:0x000055ce333ac260> #<Reference:0x000055ce333ac080> #<Reference:0x000055ce333af460> #<Reference:0x000055ce333a3ef8> #<Reference:0x000055ce333a3d18> #<Reference:0x000055ce333a3ac0> #<Reference:0x000055ce333a3908> #<Reference:0x000055ce333a3728> #<Reference:0x000055ce333a34d0> #<Reference:0x000055ce333a3318> #<Reference:0x000055ce333a3110> #<Reference:0x000055ce333a2ee0> #<Reference:0x000055ce333a2d28> #<Reference:0x000055ce333a2b20> #<Reference:0x000055ce333a28f0> Eggs Unknown generic