1.02011-09-21 01:44:47 UTC2015-07-21 06:59:32 UTCFDB028775(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol is converted from cis-stilbene oxide via the enzyme microsomal epoxide hydrolase (EC 3.3.2.9). This is a key hepatic enzyme that is involved in the metabolism of numerous xenobiotics, such as 1,3-butadiene oxide, styrene oxide and the polycyclic aromatic hydrocarbon benzo[a]pyrene 4,5-oxide. [HMDB](+)-Hydrobenzoin(R,R)-(+)-HydrobenzoinC14H14O2214.2598214.099379692(1R,2R)-1,2-diphenylethane-1,2-diol(+)-hydrobenzoin52340-78-0O[C@@H]([C@H](O)C1=CC=CC=C1)C1=CC=CC=C1InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1IHPDTPWNFBQHEB-ZIAGYGMSSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.StilbenesOrganic compoundsPhenylpropanoids and polyketidesStilbenesAromatic homomonocyclic compounds1,2-diolsAromatic alcoholsBenzene and substituted derivativesHydrocarbon derivativesSecondary alcohols1,2-diolAlcoholAromatic alcoholAromatic homomonocyclic compoundBenzenoidHydrocarbon derivativeMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundSecondary alcoholStilbenehydrobenzoinSolidlogp2.05logs-2.16solubility1.48e+00 g/llogp2.36pka_strongest_acidic13.08pka_strongest_basic-3.5iupac(1R,2R)-1,2-diphenylethane-1,2-diolaverage_mass214.2598mono_mass214.099379692smilesO[C@@H]([C@H](O)C1=CC=CC=C1)C1=CC=CC=C1formulaC14H14O2inchiInChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1inchikeyIHPDTPWNFBQHEB-ZIAGYGMSSA-Npolar_surface_area40.46refractivity63.12polarizability22.85rotatable_bond_count3acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs21184Specdb::CMs39815Specdb::CMs153617Specdb::MsMs313153Specdb::MsMs313154Specdb::MsMs313155Specdb::MsMs358585Specdb::MsMs358586Specdb::MsMs358587Specdb::MsMs2329866Specdb::MsMs2329867Specdb::MsMs2329868Specdb::MsMs2635276Specdb::MsMs2635277Specdb::MsMs2635278HMDB12111AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Epoxide hydrolase 1P07099EPHX1