1.0 2010-04-08 22:14:26 UTC 2019-11-26 03:17:37 UTC FDB019564 Mangostenone B Constituent of the green fruit hulls of Garcinia mangostana (mangosteen). Mangostenone B is found in fruits. Mangostenone B C28H30O6 462.5342 462.204238692 10,22-dihydroxy-7,7,18,18-tetramethyl-11-(3-methylbut-2-en-1-yl)-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),3,9,11,15,19,21-heptaen-2-one 10,22-dihydroxy-7,7,18,18-tetramethyl-11-(3-methylbut-2-en-1-yl)-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),3,9,11,15,19,21-heptaen-2-one CC(C)=CCC1=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C2CCC(C)(C)OC2=C1O InChI=1S/C28H30O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9,11,13,29-30H,8,10,12H2,1-6H3 CTTYZRNOKDZJRY-UHFFFAOYSA-N belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-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. 4-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 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 Pyranoxanthones Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 4-prenylated xanthone 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 5.94 ALOGPS logs -5.08 ALOGPS solubility 3.85e-03 g/l ALOGPS logp 6.66 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 10,22-dihydroxy-7,7,18,18-tetramethyl-11-(3-methylbut-2-en-1-yl)-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),3,9,11,15,19,21-heptaen-2-one ChemAxon average_mass 462.5342 ChemAxon mono_mass 462.204238692 ChemAxon smiles CC(C)=CCC1=C2OC3=C(C(O)=C4C=CC(C)(C)OC4=C3)C(=O)C2=C2CCC(C)(C)OC2=C1O ChemAxon formula C28H30O6 ChemAxon inchi InChI=1S/C28H30O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9,11,13,29-30H,8,10,12H2,1-6H3 ChemAxon inchikey CTTYZRNOKDZJRY-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 132.85 ChemAxon polarizability 52.21 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17982 Specdb::CMs 46627 Specdb::CMs 132427 Specdb::CMs 140161 Specdb::MsMs 91599 Specdb::MsMs 91600 Specdb::MsMs 91601 Specdb::MsMs 155022 Specdb::MsMs 155023 Specdb::MsMs 155024 Specdb::MsMs 2715985 Specdb::MsMs 2715986 Specdb::MsMs 2715987 Specdb::MsMs 2962131 Specdb::MsMs 2962132 Specdb::MsMs 2962133 HMDB39903 #<Reference:0x000055ce321781e8> Fruits Unknown generic