1.0 2016-09-30 22:47:40 UTC 2020-04-22 15:08:42 UTC BMDB0001557 BMDB01557 Riboflavin reduced 4a,5-Dihydroriboflavin 4a,5-Dihydroriboflavine 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4ah)-dione Reduced riboflavin C15H16N4O6 348.3107 348.106984264 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-3H-benzo[g]pteridine-2,4-dione 101652-10-2 OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12 InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1 ATANIONNQLTUND-CKYFFXLPSA-N belongs to the class of organic compounds known as alloxazines and isoalloxazines. These are organic compounds comprising the (iso)alloxazine structure (Benzo[g]pteridine-2,4-dione). Organic compounds Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Alloxazines and isoalloxazines Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Pyrazines Pyrimidones Quinoxalines Secondary alcohols Vinylogous amides Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Diazanaphthalene Heteroaromatic compound Hydrocarbon derivative Isoalloxazine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Pyrazine Pyrimidine Pyrimidone Quinoxaline Secondary alcohol Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -1.64 ALOGPS logs -2.86 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 5.97 ChemAxon pka_strongest_basic -3 ChemAxon iupac 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione ChemAxon average_mass 348.3107 ChemAxon mono_mass 348.106984264 ChemAxon smiles OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12 ChemAxon formula C15H16N4O6 ChemAxon inchi InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1 ChemAxon inchikey ATANIONNQLTUND-CKYFFXLPSA-N ChemAxon polar_surface_area 155.05 ChemAxon refractivity 86.19 ChemAxon polarizability 33.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 336658 Specdb::NmrOneD 336659 Specdb::NmrOneD 336660 Specdb::NmrOneD 336661 Specdb::NmrOneD 336662 Specdb::NmrOneD 336663 Specdb::NmrOneD 336664 Specdb::NmrOneD 336665 Specdb::NmrOneD 336666 Specdb::NmrOneD 336667 Specdb::NmrOneD 336668 Specdb::NmrOneD 336669 Specdb::NmrOneD 336670 Specdb::NmrOneD 336671 Specdb::NmrOneD 336672 Specdb::NmrOneD 336673 Specdb::NmrOneD 336674 Specdb::NmrOneD 336675 Specdb::NmrOneD 336676 Specdb::NmrOneD 336677 Specdb::CMs 11922 Specdb::CMs 38126 Specdb::CMs 149200 Specdb::CMs 149201 Specdb::CMs 149203 Specdb::CMs 169852 Specdb::CMs 279715 Specdb::MsMs 292255 Specdb::MsMs 292256 Specdb::MsMs 292257 Specdb::MsMs 332407 Specdb::MsMs 332408 Specdb::MsMs 332409 Specdb::MsMs 3048857 Specdb::MsMs 3048858 Specdb::MsMs 3048859 Specdb::MsMs 3118603 Specdb::MsMs 3118604 Specdb::MsMs 3118605 C01007 FDB112174 22833571 17216138 169293 6322 BMDBP00585 Flavin reductase (NADPH) P52556 BLVRB Enzyme