1.02010-04-08 22:05:22 UTC2020-02-24 19:11:10 UTCFDB002436FraxinolFraxinol is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Fraxinol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Fraxinol can be found in sour cherry, which makes fraxinol a potential biomarker for the consumption of this food product. 2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-5,7-Dimethoxy-6-hydroxycoumarin6-Hydroxy-5,7-dimethoxy-2H-1-benzopyran-2-one, 9CI6-Hydroxy-5,7-dimethoxycoumarinFraxinolC11H10O5222.1941222.052823436-hydroxy-5,7-dimethoxy-2H-chromen-2-one6-hydroxy-5,7-dimethoxychromen-2-one486-28-2COC1=C(O)C(OC)=C2C=CC(=O)OC2=C1InChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3PBPNOAHYDPHKFH-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.HydroxycoumarinsOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesHydroxycoumarinsAromatic heteropolycyclic compounds1-benzopyransAlkyl aryl ethersAnisolesHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivatives1-benzopyranAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranEtherHeteroaromatic compoundHydrocarbon derivativeHydroxycoumarinLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranonelogp1.76logs-2.15solubility1.59e+00 g/lmelting_pointMp 171-172°logp1.16pka_strongest_acidic9.29pka_strongest_basic-4.6iupac6-hydroxy-5,7-dimethoxy-2H-chromen-2-oneaverage_mass222.1941mono_mass222.05282343smilesCOC1=C(O)C(OC)=C2C=CC(=O)OC2=C1formulaC11H10O5inchiInChI=1S/C11H10O5/c1-14-8-5-7-6(3-4-9(12)16-7)11(15-2)10(8)13/h3-5,13H,1-2H3inchikeyPBPNOAHYDPHKFH-UHFFFAOYSA-Npolar_surface_area64.99refractivity56.46polarizability21.07rotatable_bond_count2acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::CMs56863Specdb::CMs69019Specdb::CMs168714Specdb::MsMs78054Specdb::MsMs78055Specdb::MsMs78056Specdb::MsMs138306Specdb::MsMs138307Specdb::MsMs138308Specdb::MsMs2303550Specdb::MsMs2303551Specdb::MsMs2303552Specdb::MsMs3066017Specdb::MsMs3066018Specdb::MsMs3066019Sour cherryType 1specificPrunus cerasus140311aldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.