1.0 2010-04-08 22:15:32 UTC 2019-11-26 03:20:03 UTC FDB021209 Mangostinone Constituent of the pericarps of Garcinia mangostana (mangosteen). Mangostinone is found in fruits and purple mangosteen. 2-Geranyl-1,3,5-trihydroxyxanthone Mangostinone C23H24O5 380.4337 380.162373878 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,3,5-trihydroxy-9H-xanthen-9-one mangostinone 166197-40-6 CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C=C1O InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+ RJLWIAOXQDZMTB-GXDHUFHOSA-N belongs to the class of organic compounds known as 2-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 2-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. 2-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic monoterpenoids 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 2-prenylated xanthone Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid logp 4.82 ALOGPS logs -4.64 ALOGPS solubility 8.65e-03 g/l ALOGPS logp 6.09 ChemAxon pka_strongest_acidic 7.24 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,3,5-trihydroxy-9H-xanthen-9-one ChemAxon average_mass 380.4337 ChemAxon mono_mass 380.162373878 ChemAxon smiles CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC3=C(C=CC=C3O)C2=O)C=C1O ChemAxon formula C23H24O5 ChemAxon inchi InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+ ChemAxon inchikey RJLWIAOXQDZMTB-GXDHUFHOSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 110.8 ChemAxon polarizability 41.89 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24762 Specdb::CMs 47234 Specdb::CMs 165522 Specdb::MsMs 320824 Specdb::MsMs 320825 Specdb::MsMs 320826 Specdb::MsMs 368308 Specdb::MsMs 368309 Specdb::MsMs 368310 Specdb::MsMs 2794463 Specdb::MsMs 2794464 Specdb::MsMs 2794465 Specdb::MsMs 2884214 Specdb::MsMs 2884215 Specdb::MsMs 2884216 HMDB41292 #<Reference:0x000055ce32afdbc8> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228