1.0 2010-04-08 22:11:53 UTC 2019-11-26 03:11:43 UTC FDB015508 beta-Mangostin From Garcinia mangostana (mangosteen). beta-Mangostin is found in fruits and purple mangosteen. 1,6-Dihydroxy-3,7-dimethoxy-2,8-diprenylxanthone b-Mangostin beta-Mangostin β-mangostin C25H28O6 424.4862 424.188588628 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-en-1-yl)xanthen-9-one 20931-37-7 COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(OC)=C(O)C=C1O2 InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3 YRKKJHJIWCRNCW-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 8-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-prenylated xanthones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone 8-prenylated xanthone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 4.16 ALOGPS logs -5.04 ALOGPS solubility 3.88e-03 g/l ALOGPS melting_point Mp 175-176° logp 6.14 ChemAxon pka_strongest_acidic 7.82 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 424.4862 ChemAxon mono_mass 424.188588628 ChemAxon smiles COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(CC=C(C)C)C(OC)=C(O)C=C1O2 ChemAxon formula C25H28O6 ChemAxon inchi InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3 ChemAxon inchikey YRKKJHJIWCRNCW-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 122.19 ChemAxon polarizability 47.21 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20320 Specdb::CMs 44920 Specdb::CMs 153921 Specdb::MsMs 73197 Specdb::MsMs 73198 Specdb::MsMs 73199 Specdb::MsMs 132306 Specdb::MsMs 132307 Specdb::MsMs 132308 Specdb::MsMs 2288403 Specdb::MsMs 2288404 Specdb::MsMs 2288405 Specdb::MsMs 2647356 Specdb::MsMs 2647357 Specdb::MsMs 2647358 HMDB36596 #<Reference:0x000055ce321fdf50> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228