1.0 2010-04-08 22:11:20 UTC 2025-11-19 00:47:43 UTC FDB014559 (7E,7'R,8'R)-epsilon-Viniferin Isolated from leaves of wine grape (Vitis vinifera) infected with Botrytis cinerea. (7E,7'R,8'R)-epsilon-Viniferin is found in alcoholic beverages and fruits. C28H22O6 454.478 454.141638428 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol epsilon-viniferin 62218-08-0 [H]\C(=C(\[H])C1=CC(O)=CC2=C1[C@@]([H])(C1=CC(O)=CC(O)=C1)[C@@]([H])(O2)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1 FQWLMRXWKZGLFI-YVYUXZJTSA-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 Hydrocarbon derivatives 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 Coumaran Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Stilbene Styrene 1-benzofurans Stilbenoid dimers, stilbenoid oligomers and bis(bibenzyl)s polyphenol stilbenoid logp 4.52 ALOGPS logs -5.28 ALOGPS solubility 2.39e-03 g/l ALOGPS melting_point Mp 155-156° logp 5.96 ChemAxon pka_strongest_acidic 8.51 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol ChemAxon average_mass 454.478 ChemAxon mono_mass 454.141638428 ChemAxon smiles [H]\C(=C(\[H])C1=CC(O)=CC2=C1[C@@]([H])(C1=CC(O)=CC(O)=C1)[C@@]([H])(O2)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 ChemAxon formula C28H22O6 ChemAxon inchi InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1 ChemAxon inchikey FQWLMRXWKZGLFI-YVYUXZJTSA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 130.04 ChemAxon polarizability 47.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240127 Specdb::MsMs 240128 Specdb::MsMs 240129 Specdb::MsMs 242182 Specdb::MsMs 242183 Specdb::MsMs 242184 HMDB30604 #<Reference:0x00007f093c18b220> Alcoholic beverages Unknown generic Fruits Unknown generic