1.0 2010-04-08 22:05:24 UTC 2025-11-18 22:37:52 UTC FDB002497 alpha-Viniferin Constituent of Vitis vinifera (wine grape). alpha-Viniferin is found in alcoholic beverages, fruits, and common grape. (+)-alpha-Viniferin Alpha-viniferin C42H30O9 678.6822 678.188982558 3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol α-viniferin 62218-13-7 OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=C2C3C(OC2=CC(O)=C1)C1=CC=C(O)C=C1 InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H KUTVNHOAKHJJFL-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 Alkyl aryl ethers Benzene and substituted derivatives Coumarans Hydrocarbon derivatives Oxacyclic compounds Polyols 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Coumaran Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol a small molecule logp 5.91 ALOGPS logs -5.46 ALOGPS solubility 2.36e-03 g/l ALOGPS logp 7.67 ChemAxon pka_strongest_acidic 8.69 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol ChemAxon average_mass 678.6822 ChemAxon mono_mass 678.188982558 ChemAxon smiles OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=C2C(C(OC2=CC(O)=C1)C1=CC=C(O)C=C1)C1=C2C3C(OC2=CC(O)=C1)C1=CC=C(O)C=C1 ChemAxon formula C42H30O9 ChemAxon inchi InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H ChemAxon inchikey KUTVNHOAKHJJFL-UHFFFAOYSA-N ChemAxon polar_surface_area 149.07 ChemAxon refractivity 187.75 ChemAxon polarizability 70.7 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15689 Specdb::CMs 720377 Specdb::CMs 720378 Specdb::CMs 720379 Specdb::CMs 720380 Specdb::CMs 720381 Specdb::CMs 720382 Specdb::CMs 720383 Specdb::CMs 720384 Specdb::CMs 720385 Specdb::CMs 720386 Specdb::CMs 720387 Specdb::CMs 720388 Specdb::CMs 720389 Specdb::CMs 720390 Specdb::CMs 720391 Specdb::CMs 720392 Specdb::CMs 720393 Specdb::MsMs 7433 Specdb::MsMs 7434 Specdb::MsMs 7435 Specdb::MsMs 11609 Specdb::MsMs 11610 Specdb::MsMs 11611 Specdb::MsMs 14105 Specdb::MsMs 14106 Specdb::MsMs 14107 Specdb::MsMs 18281 Specdb::MsMs 18282 Specdb::MsMs 18283 Specdb::MsMs 2437402 Specdb::MsMs 2437403 Specdb::MsMs 2437404 Specdb::MsMs 2527746 Specdb::MsMs 2527747 Specdb::MsMs 2527748 HMDB30603 #<Reference:0x000055ce327ddc90> #<Reference:0x000055ce327b3d50> Alcoholic beverages Unknown generic Common grape Type 1 specific Vitis vinifera 29760 2340.0 2340.0 2340.0 mg/100 g Fruits Unknown generic