1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:10 UTC FDB000601 Isomangiferin Constituent of Mangifera indica (mango). Isomangiferin is found in fruits. 4-b-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9CI 4-Glucosyl-1,3,6,7-tetrahydroxyxanthone C19H18O11 422.3396 422.084911418 1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one 1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one 24699-16-9 OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2 CDYBOKJASDEORM-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 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 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 -0.13 ALOGPS logs -1.92 ALOGPS solubility 5.06e+00 g/l ALOGPS melting_point Mp 260° dec. logp -0.36 ChemAxon pka_strongest_acidic 7.02 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3,6,7-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one ChemAxon average_mass 422.3396 ChemAxon mono_mass 422.084911418 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC1=C(C=C(O)C(O)=C1)C2=O ChemAxon formula C19H18O11 ChemAxon inchi InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2 ChemAxon inchikey CDYBOKJASDEORM-UHFFFAOYSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 97.86 ChemAxon polarizability 39.3 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 15582 Specdb::NmrOneD 15583 Specdb::NmrOneD 15584 Specdb::NmrOneD 15585 Specdb::NmrOneD 15586 Specdb::NmrOneD 15587 Specdb::NmrOneD 15588 Specdb::NmrOneD 15589 Specdb::NmrOneD 15590 Specdb::NmrOneD 15591 Specdb::NmrOneD 15592 Specdb::NmrOneD 15593 Specdb::NmrOneD 15594 Specdb::NmrOneD 15595 Specdb::NmrOneD 15596 Specdb::NmrOneD 15597 Specdb::NmrOneD 15598 Specdb::NmrOneD 15599 Specdb::NmrOneD 15600 Specdb::NmrOneD 15601 Specdb::CMs 9643 Specdb::CMs 41389 Specdb::CMs 130626 Specdb::CMs 138360 Specdb::CMs 154131 Specdb::CMs 154133 Specdb::CMs 154134 Specdb::CMs 154137 Specdb::CMs 154139 Specdb::CMs 154141 Specdb::CMs 154143 Specdb::CMs 154145 Specdb::CMs 154146 Specdb::CMs 154148 Specdb::CMs 154150 Specdb::CMs 154152 Specdb::CMs 154154 Specdb::CMs 154156 Specdb::CMs 154158 Specdb::CMs 154160 Specdb::CMs 154161 Specdb::CMs 154163 Specdb::CMs 154165 Specdb::CMs 154167 Specdb::CMs 279963 Specdb::MsMs 45453 Specdb::MsMs 45454 Specdb::MsMs 45455 Specdb::MsMs 176394 Specdb::MsMs 176395 Specdb::MsMs 176396 Specdb::MsMs 2833404 Specdb::MsMs 2833405 Specdb::MsMs 2833406 Specdb::MsMs 2849635 Specdb::MsMs 2849636 Specdb::MsMs 2849637 HMDB29477 #<Reference:0x000055ce30536ed0> #<Reference:0x000055ce30536d18> Fruits Unknown generic Mango Type 1 specific Mangifera indica 29780