1.0 2010-04-08 22:04:40 UTC 2025-11-18 22:21:08 UTC FDB000687 (-)-Ligballinol (+)-ligballinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units (+)-ligballinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-ligballinol can be found in pulses, which makes (+)-ligballinol a potential biomarker for the consumption of this food product. Ligballinol C18H18O4 298.3331 298.120509064 4-[4-(4-hydroxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenol 4-[4-(4-hydroxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenol 55332-75-7 OC1=CC=C(C=C1)C1OCC2C1COC2C1=CC=C(O)C=C1 InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2 AYMLHOROIXAYPH-UHFFFAOYSA-N belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. Furanoid lignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Tetrahydrofuran logp 2.33 ALOGPS logs -3.88 ALOGPS solubility 3.91e-02 g/l ALOGPS melting_point Mp 264-266° logp 2.59 ChemAxon pka_strongest_acidic 9.17 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 4-[4-(4-hydroxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenol ChemAxon average_mass 298.3331 ChemAxon mono_mass 298.120509064 ChemAxon smiles OC1=CC=C(C=C1)C1OCC2C1COC2C1=CC=C(O)C=C1 ChemAxon formula C18H18O4 ChemAxon inchi InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2 ChemAxon inchikey AYMLHOROIXAYPH-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 82.17 ChemAxon polarizability 31.77 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10767 Specdb::CMs 41445 Specdb::CMs 137666 Specdb::CMs 145400 Specdb::MsMs 107304 Specdb::MsMs 107305 Specdb::MsMs 107306 Specdb::MsMs 174252 Specdb::MsMs 174253 Specdb::MsMs 174254 Specdb::MsMs 2286115 Specdb::MsMs 2286116 Specdb::MsMs 2286117 Specdb::MsMs 3083481 Specdb::MsMs 3083482 Specdb::MsMs 3083483 HMDB0029543 Adzuki bean Type 1 specific Vigna angularis 3914