1.0 2010-04-08 22:15:25 UTC 2025-11-19 02:35:09 UTC FDB021033 Isochinomin Constituent of Mangifera indica (mango). Isochinomin is found in fruits. 3-O-Methylisomangiferin Isochinomin C20H20O11 436.3662 436.100561482 1,6,7-trihydroxy-3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one 1,6,7-trihydroxy-3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one 83118-66-5 COC1=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C1=C(O2)C=C(O)C(O)=C1 InChI=1S/C20H20O11/c1-29-11-4-9(24)13-15(25)6-2-7(22)8(23)3-10(6)30-19(13)14(11)20-18(28)17(27)16(26)12(5-21)31-20/h2-4,12,16-18,20-24,26-28H,5H2,1H3 VXVIYGXUCPLQBI-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 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 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 -2.14 ALOGPS solubility 3.18e+00 g/l ALOGPS logp -0.22 ChemAxon pka_strongest_acidic 7.54 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,6,7-trihydroxy-3-methoxy-4-[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=C(C2OC(CO)C(O)C(O)C2O)C2=C(C(O)=C1)C(=O)C1=C(O2)C=C(O)C(O)=C1 ChemAxon formula C20H20O11 ChemAxon inchi InChI=1S/C20H20O11/c1-29-11-4-9(24)13-15(25)6-2-7(22)8(23)3-10(6)30-19(13)14(11)20-18(28)17(27)16(26)12(5-21)31-20/h2-4,12,16-18,20-24,26-28H,5H2,1H3 ChemAxon inchikey VXVIYGXUCPLQBI-UHFFFAOYSA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 102.34 ChemAxon polarizability 41.5 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 311794 Specdb::MsMs 311795 Specdb::MsMs 311796 Specdb::MsMs 356884 Specdb::MsMs 356885 Specdb::MsMs 356886 Specdb::MsMs 2786395 Specdb::MsMs 2786396 Specdb::MsMs 2786397 Specdb::MsMs 2923291 Specdb::MsMs 2923292 Specdb::MsMs 2923293 Specdb::NmrOneD 44862 Specdb::NmrOneD 44863 Specdb::NmrOneD 44864 Specdb::NmrOneD 44865 Specdb::NmrOneD 44866 Specdb::NmrOneD 44867 Specdb::NmrOneD 44868 Specdb::NmrOneD 44869 Specdb::NmrOneD 44870 Specdb::NmrOneD 44871 Specdb::NmrOneD 44872 Specdb::NmrOneD 44873 Specdb::NmrOneD 44874 Specdb::NmrOneD 44875 Specdb::NmrOneD 44876 Specdb::NmrOneD 44877 Specdb::NmrOneD 44878 Specdb::NmrOneD 44879 Specdb::NmrOneD 44880 Specdb::NmrOneD 44881 Specdb::CMs 20559 Specdb::CMs 47146 Specdb::CMs 153247 Specdb::CMs 155104 Specdb::CMs 155106 Specdb::CMs 155108 Specdb::CMs 155110 Specdb::CMs 155112 Specdb::CMs 155114 Specdb::CMs 155116 Specdb::CMs 155118 Specdb::CMs 155119 Specdb::CMs 155121 Specdb::CMs 155123 Specdb::CMs 155125 Specdb::CMs 155127 Specdb::CMs 155129 Specdb::CMs 155131 Specdb::CMs 155133 Specdb::CMs 155135 Specdb::CMs 155138 Specdb::CMs 155140 Specdb::CMs 155141 Specdb::CMs 155143 Specdb::CMs 155145 HMDB41147 #<Reference:0x000055ce3194b768> Fruits Unknown generic