1.0 2010-04-08 22:15:33 UTC 2019-11-26 03:20:03 UTC FDB021212 7-Hydroxy-6-methoxy-alpha-pyrufuran Constituent of the sapwood of Mespilus germanica (European medlar). 7-Hydroxy-6-methoxy-alpha-pyrufuran is found in fruits. 1,3,4,6-Tetramethoxy-2,7-dibenzofurandiol 2,7-Dihydroxy-1,3,4,6-tetramethoxydibenzofuran 7-Hydroxy-6-methoxy-a-pyrufuran C16H16O7 320.294 320.089602866 3,5,6,10-tetramethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene-4,11-diol 3,5,6,10-tetramethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene-4,11-diol 167278-45-7 COC1=C2OC3=C(C=CC(O)=C3OC)C2=C(OC)C(O)=C1OC InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3 QPJPNKHHNVCLCF-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Dibenzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Dibenzofuran Ether Furan Heteroaromatic compound Hydrocarbon derivative Hydrolyzable tannin Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 1.72 ALOGPS logs -2.84 ALOGPS solubility 4.60e-01 g/l ALOGPS logp 1.91 ChemAxon pka_strongest_acidic 8.14 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3,5,6,10-tetramethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene-4,11-diol ChemAxon average_mass 320.294 ChemAxon mono_mass 320.089602866 ChemAxon smiles COC1=C2OC3=C(C=CC(O)=C3OC)C2=C(OC)C(O)=C1OC ChemAxon formula C16H16O7 ChemAxon inchi InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3 ChemAxon inchikey QPJPNKHHNVCLCF-UHFFFAOYSA-N ChemAxon polar_surface_area 90.52 ChemAxon refractivity 81.04 ChemAxon polarizability 31.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12710 Specdb::CMs 47237 Specdb::CMs 167581 Specdb::MsMs 293923 Specdb::MsMs 293924 Specdb::MsMs 293925 Specdb::MsMs 334513 Specdb::MsMs 334514 Specdb::MsMs 334515 Specdb::MsMs 2814374 Specdb::MsMs 2814375 Specdb::MsMs 2814376 Specdb::MsMs 2891007 Specdb::MsMs 2891008 Specdb::MsMs 2891009 HMDB41295 #<Reference:0x000055ce300ad080> Fruits Unknown generic