1.0 2010-04-08 22:11:43 UTC 2019-11-26 03:11:19 UTC FDB015226 Viniferol A Constituent of wine grape Vitis vinifera 'Kyohou'. Viniferol A is found in alcoholic beverages and fruits. C56H42O12 906.9255 906.267626808 10-(3,5-dihydroxyphenyl)-3,9,14,22-tetrakis(4-hydroxyphenyl)-8,23-dioxaheptacyclo[19.6.1.0²,¹³.0⁴,¹².0⁷,¹¹.0¹⁵,²⁰.0²⁴,²⁸]octacosa-1(27),4(12),5,7(11),15(20),16,18,24(28),25-nonaene-5,16,18,26-tetrol 10-(3,5-dihydroxyphenyl)-3,9,14,22-tetrakis(4-hydroxyphenyl)-8,23-dioxaheptacyclo[19.6.1.0²,¹³.0⁴,¹².0⁷,¹¹.0¹⁵,²⁰.0²⁴,²⁸]octacosa-1(27),4(12),5,7(11),15(20),16,18,24(28),25-nonaene-5,16,18,26-tetrol OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C1=C(C(C3C1C(C1=CC=C(O)C=C1)C1=C(C=C(O)C=C1O)C1C(OC4=C1C3=CC(O)=C4)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C(O)=C2 InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-48-39(21-37(64)23-42(48)67-56(50)28-7-15-33(60)16-8-28)49-45(26-3-11-31(58)12-4-26)51-41(66)24-43-52(54(51)53(44)49)46(29-17-34(61)19-35(62)18-29)55(68-43)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H LSNFJDFYAZDWFX-UHFFFAOYSA-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 4-prenylated 2-arybenzofurans Alkyl aryl ethers Benzene and substituted derivatives Benzofurans Hydrocarbon derivatives Indanes Lignans, neolignans and related compounds Linear diarylheptanoids Oxacyclic compounds Polyols Resorcinols Stilbenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-phenylcoumaran 2-arylbenzofuran flavonoid 4-prenylated 2-arybenzofuran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Coumaran Ether Hydrocarbon derivative Indane Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Resorcinol Stilbene logp 6.09 ALOGPS logs -5.87 ALOGPS solubility 1.23e-03 g/l ALOGPS logp 10.43 ChemAxon pka_strongest_acidic 8.66 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 10-(3,5-dihydroxyphenyl)-3,9,14,22-tetrakis(4-hydroxyphenyl)-8,23-dioxaheptacyclo[19.6.1.0²,¹³.0⁴,¹².0⁷,¹¹.0¹⁵,²⁰.0²⁴,²⁸]octacosa-1(27),4(12),5,7(11),15(20),16,18,24(28),25-nonaene-5,16,18,26-tetrol ChemAxon average_mass 906.9255 ChemAxon mono_mass 906.267626808 ChemAxon smiles OC1=CC=C(C=C1)C1OC2=C(C1C1=CC(O)=CC(O)=C1)C1=C(C(C3C1C(C1=CC=C(O)C=C1)C1=C(C=C(O)C=C1O)C1C(OC4=C1C3=CC(O)=C4)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C(O)=C2 ChemAxon formula C56H42O12 ChemAxon inchi InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-48-39(21-37(64)23-42(48)67-56(50)28-7-15-33(60)16-8-28)49-45(26-3-11-31(58)12-4-26)51-41(66)24-43-52(54(51)53(44)49)46(29-17-34(61)19-35(62)18-29)55(68-43)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H ChemAxon inchikey LSNFJDFYAZDWFX-UHFFFAOYSA-N ChemAxon polar_surface_area 220.76 ChemAxon refractivity 253.11 ChemAxon polarizability 92.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63738 Specdb::MsMs 63739 Specdb::MsMs 63740 Specdb::MsMs 120732 Specdb::MsMs 120733 Specdb::MsMs 120734 Specdb::MsMs 2699905 Specdb::MsMs 2699906 Specdb::MsMs 2699907 Specdb::MsMs 3006177 Specdb::MsMs 3006178 Specdb::MsMs 3006179 HMDB36352 #<Reference:0x000055ce3246b350> Alcoholic beverages Unknown generic Fruits Unknown generic