1.02010-04-08 22:13:42 UTC2019-11-26 03:16:08 UTCFDB0184283beta,6beta-DihydroxynortropaneAlkaloid from the fruit of Morus alba (white mulberry). 3beta,6beta-Dihydroxynortropane is found in fruits.3b,6b-DihydroxynortropaneC7H13NO2143.1836143.0946286658-azabicyclo[3.2.1]octane-3,6-diol8-azabicyclo[3.2.1]octane-3,6-diolOC1CC2CC(O)CC1N2InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2MVUIPZFMWQBRCM-UHFFFAOYSA-N belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.Tropane alkaloidsOrganic compoundsAlkaloids and derivativesTropane alkaloidsAliphatic heteropolycyclic compounds1,2-aminoalcoholsAzacyclic compoundsCyclic alcohols and derivativesDialkylaminesHydrocarbon derivativesOrganopnictogen compoundsPiperidinesPyrrolidinesSecondary alcohols1,2-aminoalcoholAlcoholAliphatic heteropolycyclic compoundAmineAzacycleCyclic alcoholHydrocarbon derivativeOrganic nitrogen compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPiperidinePyrrolidineSecondary alcoholSecondary aliphatic amineSecondary amineTropane alkaloidlogp-0.71logs0.48solubility4.30e+02 g/llogp-1.5pka_strongest_acidic14.45pka_strongest_basic10.02iupac8-azabicyclo[3.2.1]octane-3,6-diolaverage_mass143.1836mono_mass143.094628665smilesOC1CC2CC(O)CC1N2formulaC7H13NO2inchiInChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2inchikeyMVUIPZFMWQBRCM-UHFFFAOYSA-Npolar_surface_area52.49refractivity36.62polarizability14.96rotatable_bond_count0acceptor_count3donor_count3physiological_charge1formal_charge0Specdb::CMs10137Specdb::CMs46167Specdb::CMs155556Specdb::NmrOneD30202Specdb::NmrOneD30203Specdb::NmrOneD30204Specdb::NmrOneD30205Specdb::NmrOneD30206Specdb::NmrOneD30207Specdb::NmrOneD30208Specdb::NmrOneD30209Specdb::NmrOneD30210Specdb::NmrOneD30211Specdb::NmrOneD30212Specdb::NmrOneD30213Specdb::NmrOneD30214Specdb::NmrOneD30215Specdb::NmrOneD30216Specdb::NmrOneD30217Specdb::NmrOneD30218Specdb::NmrOneD30219Specdb::NmrOneD30220Specdb::NmrOneD30221Specdb::MsMs9248Specdb::MsMs9249Specdb::MsMs9250Specdb::MsMs15920Specdb::MsMs15921Specdb::MsMs15922Specdb::MsMs2686236Specdb::MsMs2686237Specdb::MsMs2686238Specdb::MsMs2992625Specdb::MsMs2992626Specdb::MsMs2992627FruitsUnknowngeneric