1.0 2010-04-08 22:12:22 UTC 2019-11-26 03:13:02 UTC FDB016317 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone Constituent of the fruit hulls of Garcinia mangostana (mangosteen). 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone is found in fruits. 1,3,8-Trihydroxy-4-methyl-2,7-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI C24H26O5 394.4602 394.178023942 1,3,8-trihydroxy-4-methyl-2,7-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,3,8-trihydroxy-4-methyl-2,7-bis(3-methylbut-2-en-1-yl)xanthen-9-one CC(C)=CCC1=C(O)C2=C(OC3=C(C(O)=C(CC=C(C)C)C(O)=C3C)C2=O)C=C1 InChI=1S/C24H26O5/c1-12(2)6-8-15-9-11-17-18(21(15)26)23(28)19-22(27)16(10-7-13(3)4)20(25)14(5)24(19)29-17/h6-7,9,11,25-27H,8,10H2,1-5H3 QPSZSDVSMAQDTD-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-4-unsubstituted benzenoids Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 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 4.60 ALOGPS logs -4.89 ALOGPS solubility 5.04e-03 g/l ALOGPS melting_point Mp 174-176° logp 7.32 ChemAxon pka_strongest_acidic 7.77 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3,8-trihydroxy-4-methyl-2,7-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 394.4602 ChemAxon mono_mass 394.178023942 ChemAxon smiles CC(C)=CCC1=C(O)C2=C(OC3=C(C(O)=C(CC=C(C)C)C(O)=C3C)C2=O)C=C1 ChemAxon formula C24H26O5 ChemAxon inchi InChI=1S/C24H26O5/c1-12(2)6-8-15-9-11-17-18(21(15)26)23(28)19-22(27)16(10-7-13(3)4)20(25)14(5)24(19)29-17/h6-7,9,11,25-27H,8,10H2,1-5H3 ChemAxon inchikey QPSZSDVSMAQDTD-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 116.29 ChemAxon polarizability 44.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15870 Specdb::CMs 45301 Specdb::CMs 131572 Specdb::CMs 139306 Specdb::MsMs 87201 Specdb::MsMs 87202 Specdb::MsMs 87203 Specdb::MsMs 149652 Specdb::MsMs 149653 Specdb::MsMs 149654 Specdb::MsMs 2362028 Specdb::MsMs 2362029 Specdb::MsMs 2362030 Specdb::MsMs 2599871 Specdb::MsMs 2599872 Specdb::MsMs 2599873 HMDB37298 #<Reference:0x000055ce324258c8> Fruits Unknown generic