2.0 2012-08-09 09:25:25 -0600 2015-06-03 17:21:46 -0600 ECMDB21550 M2MDB001945 Menadiol Menadiol is a naphthoquinone. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Menadiol can be converted to menadione. Menadione is reduced by the two-electron reduction pathway to menadiol, the induction of this enzyme is likely to be an adaptive response of E. coli to partially alleviate the toxicity of menadione. 2-Methyl-1,4-naphthohydroquinone 2-Methyl-1,4-naphthoquinol 2-Methylhydronaphthoquinone 2-Methylnaphthalene-1,4-diol Dihydrovitamin K3 Menadiol Menadiol sodium diphosphate Menadiol sodium diphosphate hexahydrate Menadiol sodium diphosphoric acid Menadiol sodium diphosphoric acid hexahydric acid Methylnaphthohydroquinone Reduced menadione Reduced vitamin K3 Vitamin K3H2 C11H10O2 174.1959 174.068079564 2-methylnaphthalene-1,4-diol menadiol 481-85-6 CC1=C(O)C2=CC=CC=C2C(O)=C1 InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N Solid Membrane logp 2.22 ALOGPS logs -2.50 ALOGPS solubility 5.48e-01 g/l ALOGPS melting_point 169 oC logp 2.87 ChemAxon pka_strongest_acidic 9.53 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-methylnaphthalene-1,4-diol ChemAxon average_mass 174.1959 ChemAxon mono_mass 174.068079564 ChemAxon smiles CC1=C(O)C2=CC=CC=C2C(O)=C1 ChemAxon formula C11H10O2 ChemAxon inchi InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3 ChemAxon inchikey ZJTLZYDQJHKRMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 51.51 ChemAxon polarizability 18.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 92639 Specdb::NmrOneD 342688 Specdb::NmrOneD 342689 Specdb::NmrOneD 342690 Specdb::NmrOneD 342691 Specdb::NmrOneD 342692 Specdb::NmrOneD 342693 Specdb::NmrOneD 342694 Specdb::NmrOneD 342695 Specdb::NmrOneD 342696 Specdb::NmrOneD 342697 Specdb::NmrOneD 342698 Specdb::NmrOneD 342699 Specdb::NmrOneD 342700 Specdb::NmrOneD 342701 Specdb::NmrOneD 342702 Specdb::NmrOneD 342703 Specdb::NmrOneD 342704 Specdb::NmrOneD 342705 Specdb::NmrOneD 342706 Specdb::NmrOneD 342707 Specdb::MsMs 28541 Specdb::MsMs 28542 Specdb::MsMs 28543 Specdb::MsMs 35099 Specdb::MsMs 35100 Specdb::MsMs 35101 10209 9794 C07126 6746 menadiol Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. 18331064 Probable quinol monooxygenase ygiN P0ADU2 YGIN_ECOLI ygiN http://ecmdb.ca/proteins/P0ADU2.xml