1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:29 UTC FDB012253 1,6-Dihydroxy-3-methoxy-2-prenylxanthone Constituent of Garcinia mangostana (mangosteen). 1,6-Dihydroxy-3-methoxy-2-prenylxanthone is found in fruits. 1,6-Dihydroxy-3-methoxy-2-prenylxanthone C19H18O5 326.3432 326.115423686 1,6-dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 1,6-dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)xanthen-9-one 119227-98-4 COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C=C(O)C=C1 InChI=1S/C19H18O5/c1-10(2)4-6-12-14(23-3)9-16-17(18(12)21)19(22)13-7-5-11(20)8-15(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3 QKSNMZWDGXOPMT-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 Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 3.87 ALOGPS logs -4.05 ALOGPS solubility 2.91e-02 g/l ALOGPS melting_point Mp 240° logp 4.57 ChemAxon pka_strongest_acidic 7.44 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 1,6-dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 326.3432 ChemAxon mono_mass 326.115423686 ChemAxon smiles COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C1=C(O2)C=C(O)C=C1 ChemAxon formula C19H18O5 ChemAxon inchi InChI=1S/C19H18O5/c1-10(2)4-6-12-14(23-3)9-16-17(18(12)21)19(22)13-7-5-11(20)8-15(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3 ChemAxon inchikey QKSNMZWDGXOPMT-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 91.48 ChemAxon polarizability 35.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12838 Specdb::CMs 43650 Specdb::CMs 152388 Specdb::MsMs 81723 Specdb::MsMs 81724 Specdb::MsMs 81725 Specdb::MsMs 142896 Specdb::MsMs 142897 Specdb::MsMs 142898 Specdb::MsMs 2312762 Specdb::MsMs 2312763 Specdb::MsMs 2312764 Specdb::MsMs 2653265 Specdb::MsMs 2653266 Specdb::MsMs 2653267 HMDB34015 #<Reference:0x000055ce32d65c08> Fruits Unknown generic