1.0 2010-04-08 22:09:36 UTC 2019-11-26 03:04:51 UTC FDB011355 BR-Xanthone A Constituent of the dry fruit hulls of Garcinia mangostana (mangosteen). BR-Xanthone A is found in fruits and purple mangosteen. BR-Xanthone A C23H24O6 396.4331 396.1572885 10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),3,9,11,15,21-hexaen-2-one 10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),3,9,11,15,21-hexaen-2-one 112649-48-6 CC1(C)CCC2=C(O)C3=C(OC4=CC(O)=C5OC(C)(C)CCC5=C4C3=O)C=C2O1 InChI=1S/C23H24O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h9-10,24-25H,5-8H2,1-4H3 QFURCBFEIGTKCW-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. Pyranoxanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Pyranoxanthone Vinylogous acid logp 4.52 ALOGPS logs -4.42 ALOGPS solubility 1.52e-02 g/l ALOGPS melting_point Mp 181-182° logp 5.05 ChemAxon pka_strongest_acidic 7.9 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),3,9,11,15,21-hexaen-2-one ChemAxon average_mass 396.4331 ChemAxon mono_mass 396.1572885 ChemAxon smiles CC1(C)CCC2=C(O)C3=C(OC4=CC(O)=C5OC(C)(C)CCC5=C4C3=O)C=C2O1 ChemAxon formula C23H24O6 ChemAxon inchi InChI=1S/C23H24O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h9-10,24-25H,5-8H2,1-4H3 ChemAxon inchikey QFURCBFEIGTKCW-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 107.64 ChemAxon polarizability 43.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16889 Specdb::CMs 43240 Specdb::CMs 169972 Specdb::MsMs 107853 Specdb::MsMs 107854 Specdb::MsMs 107855 Specdb::MsMs 174936 Specdb::MsMs 174937 Specdb::MsMs 174938 Specdb::MsMs 2687088 Specdb::MsMs 2687089 Specdb::MsMs 2687090 Specdb::MsMs 2991851 Specdb::MsMs 2991852 Specdb::MsMs 2991853 HMDB33328 #<Reference:0x000055ce306c7c40> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228