1.02010-04-08 22:06:56 UTC2019-11-26 03:00:53 UTCFDB005974MangiferolMangiferol, also known as alpizarin or chinomin, is a member of the class of compounds known as xanthones. Xanthones are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Mangiferol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Mangiferol can be found in mango, which makes mangiferol a potential biomarker for the consumption of this food product.C19H18O11422.342422.08491141,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-onemangiferin4773-96-0[H][C@]1(CO)O[C@@]([H])(C2=C(O)C3=C(OC4=C(C=C(O)C(O)=C4)C3=O)C=C2O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])OInChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1AEDDIBAIWPIIBD-ZJKJAXBQSA-N belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.XanthonesOrganic compoundsOrganoheterocyclic compoundsBenzopyrans1-benzopyransAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsC-glycosyl compoundsChromonesDialkyl ethersHeteroaromatic compoundsHexosesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPrimary alcoholsPyranones and derivativesSecondary alcoholsVinylogous acids1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlcoholAromatic heteropolycyclic compoundBenzenoidC-glycosyl compoundChromoneDialkyl etherEtherGlycosyl compoundHeteroaromatic compoundHexose monosaccharideHydrocarbon derivativeMonosaccharideOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleOxanePhenolic glycosidePolyolPrimary alcoholPyranPyranoneSecondary alcoholVinylogous acidXanthoneC-glycosyl compoundxanthenesxanthoneslogp-0.09logs-1.92solubility5.02e+00 g/llogp-0.36pka_strongest_acidic6.98pka_strongest_basic-3iupac1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-oneaverage_mass422.342mono_mass422.0849114smiles[H][C@]1(CO)O[C@@]([H])(C2=C(O)C3=C(OC4=C(C=C(O)C(O)=C4)C3=O)C=C2O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])OformulaC19H18O11inchiInChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1inchikeyAEDDIBAIWPIIBD-ZJKJAXBQSA-Npolar_surface_area197.37refractivity97.86polarizability39.04rotatable_bond_count2acceptor_count10donor_count8physiological_charge-1formal_charge0Specdb::MsMs83784Specdb::MsMs83785Specdb::MsMs83786Specdb::MsMs145464Specdb::MsMs145465Specdb::MsMs145466Specdb::MsMs3602357Specdb::MsMs3602358Specdb::MsMs3602359Specdb::MsMs3602360Specdb::MsMs3602361Specdb::MsMs3602362MangoType 1specificMangifera indica29780