1.0 2010-04-08 22:15:32 UTC 2025-11-19 02:36:08 UTC FDB021208 r-Viniferin Isolated from the roots of Vitis vinifera (wine grape) r-Viniferin C56H42O12 906.9255 906.267626808 5-{4-[(Z)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 5-{4-[(Z)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 165883-77-2 OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C/C3=CC(O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C=C2)C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1 InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1- WZKKRZSJTLGPHH-IWQZZHSRSA-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 6.91 ALOGPS logs -6.10 ALOGPS solubility 7.16e-04 g/l ALOGPS logp 11.08 ChemAxon pka_strongest_acidic 8.58 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 5-{4-[(Z)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol ChemAxon average_mass 906.9255 ChemAxon mono_mass 906.267626808 ChemAxon smiles OC1=CC=C(C=C1)C1OC2=C(C=C(\C=C/C3=CC(O)=CC4=C3C(C(O4)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C=C2)C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1 ChemAxon formula C56H42O12 ChemAxon inchi InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1- ChemAxon inchikey WZKKRZSJTLGPHH-IWQZZHSRSA-N ChemAxon polar_surface_area 209.76 ChemAxon refractivity 255.21 ChemAxon polarizability 93.57 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 300325 Specdb::MsMs 300326 Specdb::MsMs 300327 Specdb::MsMs 342571 Specdb::MsMs 342572 Specdb::MsMs 342573 Specdb::MsMs 2392927 Specdb::MsMs 2392928 Specdb::MsMs 2392929 Specdb::MsMs 2572175 Specdb::MsMs 2572176 Specdb::MsMs 2572177 HMDB41291 #<Reference:0x000055ce30b75760>