1.0 2010-04-08 22:04:58 UTC 2019-11-26 02:56:28 UTC FDB001443 (+)-Pinoresinolin (+)-pinoresinolin is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety (+)-pinoresinolin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-pinoresinolin can be found in burdock, which makes (+)-pinoresinolin a potential biomarker for the consumption of this food product. C20H22O7 374.3845 374.136553058 4-[(3aR,4R)-4-(4-hydroxy-3-methoxyphenoxy)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol 4-[(3aR,4R)-4-(4-hydroxy-3-methoxyphenoxy)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol 204253-92-9 COC1=CC(O[C@H]2OCC3[C@@H]2COC3C2=CC(OC)=C(O)C=C2)=CC=C1O InChI=1S/C20H22O7/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)27-12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13?,14-,19?,20+/m0/s1 IABRXERCCIPDNL-IAEFTCJHSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4-alkoxyphenols Acetals Alkyl aryl ethers Anisoles Dialkyl ethers Furofurans Hydrocarbon derivatives Methoxybenzenes Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 4-alkoxyphenol Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Dialkyl ether Ether Furofuran Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Tetrahydrofuran logp 2.15 ALOGPS logs -3.66 ALOGPS solubility 8.17e-02 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 4-[(3aR,4R)-4-(4-hydroxy-3-methoxyphenoxy)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol ChemAxon average_mass 374.3845 ChemAxon mono_mass 374.136553058 ChemAxon smiles COC1=CC(O[C@H]2OCC3[C@@H]2COC3C2=CC(OC)=C(O)C=C2)=CC=C1O ChemAxon formula C20H22O7 ChemAxon inchi InChI=1S/C20H22O7/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)27-12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13?,14-,19?,20+/m0/s1 ChemAxon inchikey IABRXERCCIPDNL-IAEFTCJHSA-N ChemAxon polar_surface_area 86.61 ChemAxon refractivity 95.9 ChemAxon polarizability 38.69 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95463 Specdb::MsMs 95464 Specdb::MsMs 95465 Specdb::MsMs 159738 Specdb::MsMs 159739 Specdb::MsMs 159740 Specdb::MsMs 3597370 Specdb::MsMs 3597371 Specdb::MsMs 3597372 Specdb::MsMs 3597373 Specdb::MsMs 3597374 Specdb::MsMs 3597375 Burdock Type 1 specific Arctium lappa 4217