1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:53 UTC FDB012479 Morusignin B Constituent of Morus insignis (mangosteen). Morusignin B is found in fruits. 1,3,5,8-Tetrahydroxy-2-(3-methyl-2-butenyl)xanthone Morusignin B C18H16O6 328.316 328.094688244 1,3,5,8-tetrahydroxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,3,5,8-tetrahydroxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one 127716-76-1 CC(C)=CCC1=C(O)C2=C(OC3=C(O)C=CC(O)=C3C2=O)C=C1O InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3 AQSBDDHXYVQYHC-UHFFFAOYSA-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 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 Benzenoid Chromone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid logp 2.92 ALOGPS logs -3.59 ALOGPS solubility 8.43e-02 g/l ALOGPS melting_point Mp 259-261° logp 4.77 ChemAxon pka_strongest_acidic 7.34 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3,5,8-tetrahydroxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 328.316 ChemAxon mono_mass 328.094688244 ChemAxon smiles CC(C)=CCC1=C(O)C2=C(OC3=C(O)C=CC(O)=C3C2=O)C=C1O ChemAxon formula C18H16O6 ChemAxon inchi InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3 ChemAxon inchikey AQSBDDHXYVQYHC-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 88.98 ChemAxon polarizability 33.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11522 Specdb::CMs 43752 Specdb::CMs 155503 Specdb::MsMs 75198 Specdb::MsMs 75199 Specdb::MsMs 75200 Specdb::MsMs 134790 Specdb::MsMs 134791 Specdb::MsMs 134792 Specdb::MsMs 2742628 Specdb::MsMs 2742629 Specdb::MsMs 2742630 Specdb::MsMs 2940104 Specdb::MsMs 2940105 Specdb::MsMs 2940106 HMDB34186 #<Reference:0x000055ce315f78a0> Fruits Unknown generic