1.0 2010-04-08 22:12:39 UTC 2025-11-19 01:49:46 UTC FDB016785 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan Isolated from azuki bean (Vigna angularis) seeds. 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan is found in pulses. [4',8''-Biflavan]-3,3',3'',4',4''',5,5'',7,7''-nonol, 8CI Catechin-(4alpha->8)-epiafzelechin C30H26O11 562.5208 562.147511674 8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 80685-13-8 OC1CC2=C(OC1C1=CC=C(O)C=C1)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2 MTCFYYIJIXJCPF-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 Catechins Catechols Hydrocarbon derivatives Oxacyclic compounds Polyols 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 Benzenoid Benzopyran Bi- and polyflavonoid skeleton Catechin Catechol Chromane Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Secondary alcohol logp 2.41 ALOGPS logs -3.77 ALOGPS solubility 9.63e-02 g/l ALOGPS logp 3.42 ChemAxon pka_strongest_acidic 8.76 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 562.5208 ChemAxon mono_mass 562.147511674 ChemAxon smiles OC1CC2=C(OC1C1=CC=C(O)C=C1)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O ChemAxon formula C30H26O11 ChemAxon inchi InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)28-22(38)10-16-18(34)11-21(37)25(30(16)41-28)26-24-20(36)8-15(32)9-23(24)40-29(27(26)39)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2 ChemAxon inchikey MTCFYYIJIXJCPF-UHFFFAOYSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 144.53 ChemAxon polarizability 56.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98820 Specdb::MsMs 98821 Specdb::MsMs 98822 Specdb::MsMs 163830 Specdb::MsMs 163831 Specdb::MsMs 163832 Specdb::MsMs 2717121 Specdb::MsMs 2717122 Specdb::MsMs 2717123 Specdb::MsMs 2961420 Specdb::MsMs 2961421 Specdb::MsMs 2961422 Specdb::CMs 24989 Specdb::CMs 45510 Specdb::CMs 282021 Specdb::CMs 348879 Specdb::CMs 348880 Specdb::CMs 348881 Specdb::CMs 348882 Specdb::CMs 348883 Specdb::CMs 348884 Specdb::CMs 348885 Specdb::CMs 348886 Specdb::CMs 348887 Specdb::CMs 348888 Specdb::CMs 348889 Specdb::CMs 348890 Specdb::CMs 348891 Specdb::CMs 348892 Specdb::CMs 348893 Specdb::CMs 348894 Specdb::CMs 348895 Specdb::CMs 348896 Specdb::CMs 348897 Specdb::CMs 348898 Specdb::CMs 348899 Specdb::CMs 348900 HMDB37662 #<Reference:0x000055ce318f6380> Pulses Unknown generic