1.0 2010-04-08 22:12:38 UTC 2025-11-19 01:49:41 UTC FDB016775 Prodelphinidin C Epigallocatechin-(4beta->8)-catechin is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids 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''. Epigallocatechin-(4beta->8)-catechin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin-(4beta->8)-catechin can be found in barley and cereals and cereal products, which makes epigallocatechin-(4beta->8)-catechin a potential biomarker for the consumption of these food products. Gallocatechin(4a->8)catechin Prodelphinidin C C30H26O13 594.5196 594.137340918 2-(3,4-dihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2-(3,4-dihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 78392-25-3 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 Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers B-type proanthocyanidins Benzene and substituted derivatives Catechols Epigallocatechins Hydrocarbon derivatives Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound B-type proanthocyanidin Benzenetriol Benzenoid Benzopyran Bi- and polyflavonoid skeleton Catechin Catechol Chromane Epigallocatechin Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Proanthocyanidin Pyrogallol derivative Secondary alcohol logp 2.22 ALOGPS logs -3.53 ALOGPS solubility 1.76e-01 g/l ALOGPS logp 2.81 ChemAxon pka_strongest_acidic 8.56 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-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 58.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 13 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11915 Specdb::MsMs 11916 Specdb::MsMs 11917 Specdb::MsMs 18587 Specdb::MsMs 18588 Specdb::MsMs 18589 Specdb::MsMs 2288379 Specdb::MsMs 2288380 Specdb::MsMs 2288381 Specdb::MsMs 2647440 Specdb::MsMs 2647441 Specdb::MsMs 2647442 Specdb::CMs 10564 Specdb::CMs 45503 Specdb::CMs 282988 Specdb::CMs 438283 Specdb::CMs 438284 Specdb::CMs 438285 Specdb::CMs 438286 Specdb::CMs 438287 Specdb::CMs 438288 Specdb::CMs 438289 Specdb::CMs 438290 Specdb::CMs 438291 Specdb::CMs 438292 Specdb::CMs 438293 Specdb::CMs 438294 Specdb::CMs 438295 Specdb::CMs 438296 Specdb::CMs 438297 Specdb::CMs 438298 Specdb::CMs 438299 Specdb::CMs 438300 Specdb::CMs 438301 Specdb::CMs 438302 Specdb::CMs 438303 Specdb::CMs 438304 HMDB0037651 Barley Type 1 specific Hordeum vulgare 4513 Broad bean Type 1 specific Vicia faba 3906 Common hazelnut Type 1 specific Corylus avellana 13451 Pomegranate Type 1 specific Punica granatum 22663