1.0 2010-04-08 22:06:56 UTC 2025-11-18 23:00:35 UTC FDB005974 Mangiferol Mangiferol, 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. C19H18O11 422.342 422.0849114 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one mangiferin 4773-96-0 [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])O InChI=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/s1 AEDDIBAIWPIIBD-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. Xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids C-glycosyl compounds Chromones Dialkyl ethers Heteroaromatic compounds Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Benzenoid C-glycosyl compound Chromone Dialkyl ether Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid Xanthone C-glycosyl compound xanthenes xanthones logp -0.09 ALOGPS logs -1.92 ALOGPS solubility 5.02e+00 g/l ALOGPS logp -0.36 ChemAxon pka_strongest_acidic 6.98 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one ChemAxon average_mass 422.342 ChemAxon mono_mass 422.0849114 ChemAxon smiles [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])O ChemAxon formula C19H18O11 ChemAxon inchi InChI=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/s1 ChemAxon inchikey AEDDIBAIWPIIBD-ZJKJAXBQSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 97.86 ChemAxon polarizability 39.04 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83784 Specdb::MsMs 83785 Specdb::MsMs 83786 Specdb::MsMs 145464 Specdb::MsMs 145465 Specdb::MsMs 145466 Specdb::MsMs 3602357 Specdb::MsMs 3602358 Specdb::MsMs 3602359 Specdb::MsMs 3602360 Specdb::MsMs 3602361 Specdb::MsMs 3602362 Mango Type 1 specific Mangifera indica 29780