1.0 2012-01-20 01:22:45 UTC 2025-11-19 03:00:09 UTC FDB030004 Norathyriol A polyphenol metabolite detected in biological fluids [PhenolExplorer] 1,3,6,7-Tetrahydroxy-9H-xanthen-9-one 1,3,6,7-Tetrahydroxyxanthone Mangiferitin C13H8O6 260.199 260.032087988 1,3,6,7-tetrahydroxy-9H-xanthen-9-one 1,3,6,7-tetrahydroxyxanthone 3542-72-1 OC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C=C(O)C(O)=C1 InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H ZHTQCPCDXKMMLU-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 Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid Xanthone polyphenol xanthenes xanthones logp 2.10 ALOGPS logs -2.68 ALOGPS solubility 5.45e-01 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_acidic 7.28 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3,6,7-tetrahydroxy-9H-xanthen-9-one ChemAxon average_mass 260.199 ChemAxon mono_mass 260.032087988 ChemAxon smiles OC1=CC2=C(C(O)=C1)C(=O)C1=C(O2)C=C(O)C(O)=C1 ChemAxon formula C13H8O6 ChemAxon inchi InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H ChemAxon inchikey ZHTQCPCDXKMMLU-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 64.74 ChemAxon polarizability 24.28 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1271104 Specdb::MsMs 1271105 Specdb::MsMs 1271106 Specdb::MsMs 1386112 Specdb::MsMs 1386113 Specdb::MsMs 1386114 Specdb::CMs 104052 Specdb::CMs 116001 Specdb::CMs 950900 Specdb::CMs 950901 Specdb::CMs 950902 Specdb::CMs 950903 Specdb::CMs 950904 Specdb::CMs 950905 Specdb::CMs 950906 Specdb::CMs 950907 Specdb::CMs 950908 Specdb::CMs 950909 Specdb::CMs 950910 Specdb::CMs 950911 Specdb::CMs 950912 Specdb::CMs 950913 Specdb::CMs 950914 Specdb::CMs 950915 Specdb::CMs 950916 Specdb::CMs 950917 Specdb::CMs 950918 Specdb::CMs 950919 Specdb::CMs 950920 Specdb::CMs 950921 Specdb::CMs 950922