1.0 2010-04-08 22:14:27 UTC 2019-11-26 03:17:38 UTC FDB019580 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone 1-Hydroxy-8-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-3,6,7-trimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one C26H30O7 454.5122 454.199153314 1-hydroxy-8-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-3,6,7-trimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1-hydroxy-8-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-3,6,7-trimethoxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(\C=C\C(C)(C)O)C(OC)=C(OC)C=C1O2 InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+ SPRXFHBMQQEVDG-ZHACJKMWSA-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 Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Styrenes Tertiary alcohols Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Styrene Tertiary alcohol Vinylogous acid logp 3.53 ALOGPS logs -5.11 ALOGPS solubility 3.51e-03 g/l ALOGPS logp 5.1 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-hydroxy-8-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-3,6,7-trimethoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 454.5122 ChemAxon mono_mass 454.199153314 ChemAxon smiles COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(\C=C\C(C)(C)O)C(OC)=C(OC)C=C1O2 ChemAxon formula C26H30O7 ChemAxon inchi InChI=1S/C26H30O7/c1-14(2)8-9-15-17(30-5)12-19-22(23(15)27)24(28)21-16(10-11-26(3,4)29)25(32-7)20(31-6)13-18(21)33-19/h8,10-13,27,29H,9H2,1-7H3/b11-10+ ChemAxon inchikey SPRXFHBMQQEVDG-ZHACJKMWSA-N ChemAxon polar_surface_area 94.45 ChemAxon refractivity 128.62 ChemAxon polarizability 50.34 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24541 Specdb::CMs 46637 Specdb::CMs 157242 Specdb::MsMs 78294 Specdb::MsMs 78295 Specdb::MsMs 78296 Specdb::MsMs 138606 Specdb::MsMs 138607 Specdb::MsMs 138608 Specdb::MsMs 2708081 Specdb::MsMs 2708082 Specdb::MsMs 2708083 Specdb::MsMs 3001087 Specdb::MsMs 3001088 Specdb::MsMs 3001089 HMDB39918 #<Reference:0x000055ce32cce858> Fruits Unknown generic