1.0 2010-04-08 22:12:38 UTC 2019-11-26 03:13:45 UTC FDB016769 Epigallocatechin-(4beta->8)-catechin Isolated from Hordeum vulgare (barley) grains and Pinus sylvestris (Scotch pine). Epigallocatechin-(4beta->8)-catechin is found in barley and cereals and cereal products. Epigallocatechin-(4beta->8)-catechin Epigallocatechin(4b->8)catechin C30H26O13 594.5196 594.137340918 (2R,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 77983-30-3 OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2 ZYDDITZPGFXQSD-UHFFFAOYSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids logp 2.81 ChemAxon pka_strongest_acidic 8.56 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac (2R,4R)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 594.5196 ChemAxon mono_mass 594.137340918 ChemAxon smiles OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O ChemAxon formula C30H26O13 ChemAxon inchi InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2 ChemAxon inchikey ZYDDITZPGFXQSD-UHFFFAOYSA-N ChemAxon polar_surface_area 240.99 ChemAxon refractivity 148.49 ChemAxon polarizability 58.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 13 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB37651 #<Reference:0x000055ce32c57a28> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic