1.0 2019-08-22 20:46:43 UTC 2020-04-06 23:42:03 UTC FDB091315 3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5,6-diol C56H42O10 874.942 874.277797552 3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5,6-diol 3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5,6-diol [H]C(=C([H])C1=C2C(C(OC2=CC(O)=C1O)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=CC=C2)C2=CC(O)=CC=C2)C2=CC=CC=C2)C=C1 InChI=1S/C56H42O10/c57-36-18-16-33(17-19-36)55-49(35-24-38(59)26-39(60)25-35)51-41(53(63)44(62)29-47(51)66-55)20-14-30-15-21-45-42(22-30)50(56(64-45)32-10-5-2-6-11-32)43-27-40(61)28-46-52(43)48(34-12-7-13-37(58)23-34)54(65-46)31-8-3-1-4-9-31/h1-29,48-50,54-63H/b20-14- AQVZAGJIDKQXLL-ZHZULCJRSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1-phenylcoumarans Alkyl aryl ethers Benzofurans Hydrocarbon derivatives Lignans, neolignans and related compounds Oxacyclic compounds Resorcinols Stilbenes Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-phenylcoumaran 2-arylbenzofuran flavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Coumaran Ether Hydrocarbon derivative Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Stilbene Styrene logp 7.62 ALOGPS logs -6.18 ALOGPS solubility 5.76e-04 g/l ALOGPS logp 11.68 ChemAxon pka_strongest_acidic 8.74 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5,6-diol ChemAxon average_mass 874.942 ChemAxon mono_mass 874.277797552 ChemAxon smiles [H]C(=C([H])C1=C2C(C(OC2=CC(O)=C1O)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=CC=C2)C2=CC(O)=CC=C2)C2=CC=CC=C2)C=C1 ChemAxon formula C56H42O10 ChemAxon inchi InChI=1S/C56H42O10/c57-36-18-16-33(17-19-36)55-49(35-24-38(59)26-39(60)25-35)51-41(53(63)44(62)29-47(51)66-55)20-14-30-15-21-45-42(22-30)50(56(64-45)32-10-5-2-6-11-32)43-27-40(61)28-46-52(43)48(34-12-7-13-37(58)23-34)54(65-46)31-8-3-1-4-9-31/h1-29,48-50,54-63H/b20-14- ChemAxon inchikey AQVZAGJIDKQXLL-ZHZULCJRSA-N ChemAxon polar_surface_area 169.3 ChemAxon refractivity 251.25 ChemAxon polarizability 91.27 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1306096 Specdb::MsMs 1306097 Specdb::MsMs 1306098 Specdb::MsMs 1420609 Specdb::MsMs 1420610 Specdb::MsMs 1420611 Specdb::MsMs 2823044 Specdb::MsMs 2823045 Specdb::MsMs 2823046 Specdb::MsMs 2859065 Specdb::MsMs 2859066 Specdb::MsMs 2859067 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823