1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:19:59 UTC FDB021166 Homomangiferin Constituent of Mangifera indica (mango). Homomangiferin is found in fruits. 3-O-Methylmangiferin Homomangiferin C20H20O11 436.3662 436.100561482 1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one 1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one 21794-66-1 COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1 InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3 HDPSXKXQSOVYLL-UHFFFAOYSA-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 Alkyl aryl ethers Anisoles 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 Alkyl aryl ether Anisole 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 logp 0.01 ALOGPS logs -2.16 ALOGPS solubility 2.98e+00 g/l ALOGPS melting_point Mp 255-257° logp -0.22 ChemAxon pka_strongest_acidic 7.53 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one ChemAxon average_mass 436.3662 ChemAxon mono_mass 436.100561482 ChemAxon smiles COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1 ChemAxon formula C20H20O11 ChemAxon inchi InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3 ChemAxon inchikey HDPSXKXQSOVYLL-UHFFFAOYSA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 102.34 ChemAxon polarizability 42.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 287104 Specdb::MsMs 287105 Specdb::MsMs 287106 Specdb::MsMs 325870 Specdb::MsMs 325871 Specdb::MsMs 325872 Specdb::MsMs 3060879 Specdb::MsMs 3060880 Specdb::MsMs 3060881 Specdb::MsMs 3108774 Specdb::MsMs 3108775 Specdb::MsMs 3108776 Specdb::CMs 9563 Specdb::CMs 47210 Specdb::CMs 145870 Specdb::CMs 155198 Specdb::CMs 155199 Specdb::CMs 155201 Specdb::CMs 155203 Specdb::CMs 155205 Specdb::CMs 155207 Specdb::CMs 155209 Specdb::CMs 155211 Specdb::CMs 155213 Specdb::CMs 155215 Specdb::CMs 155217 Specdb::CMs 155219 Specdb::CMs 155222 Specdb::CMs 155224 Specdb::CMs 155226 Specdb::CMs 155228 Specdb::CMs 155230 Specdb::CMs 155232 Specdb::CMs 155234 Specdb::CMs 155236 Specdb::CMs 155238 Specdb::CMs 155240 Specdb::NmrOneD 45742 Specdb::NmrOneD 45743 Specdb::NmrOneD 45744 Specdb::NmrOneD 45745 Specdb::NmrOneD 45746 Specdb::NmrOneD 45747 Specdb::NmrOneD 45748 Specdb::NmrOneD 45749 Specdb::NmrOneD 45750 Specdb::NmrOneD 45751 Specdb::NmrOneD 45752 Specdb::NmrOneD 45753 Specdb::NmrOneD 45754 Specdb::NmrOneD 45755 Specdb::NmrOneD 45756 Specdb::NmrOneD 45757 Specdb::NmrOneD 45758 Specdb::NmrOneD 45759 Specdb::NmrOneD 45760 Specdb::NmrOneD 45761 HMDB41258 #<Reference:0x000055ce31701390> Fruits Unknown generic Mango Type 1 specific Mangifera indica 29780