1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:47 UTC FDB011303 8-Acetoxypinoresinol Constituent of Olea europaea (olive). 8-Acetoxypinoresinol is found in many foods, some of which are herbs and spices, pomes, fats and oils, and olive. 1-Acetoxypinoresinol 8-Acetoxypinoresinol C22H24O8 416.4212 416.147117744 1,4-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate 1,4-bis(4-hydroxy-3-methoxyphenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl acetate 81426-14-4 COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(O)C=C1 InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3 NATDFORNCKZPCI-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 Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran logp 2.53 ALOGPS logs -3.72 ALOGPS solubility 7.88e-02 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 9.61 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 1,4-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate ChemAxon average_mass 416.4212 ChemAxon mono_mass 416.147117744 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(O)C=C1 ChemAxon formula C22H24O8 ChemAxon inchi InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3 ChemAxon inchikey NATDFORNCKZPCI-UHFFFAOYSA-N ChemAxon polar_surface_area 103.68 ChemAxon refractivity 105.13 ChemAxon polarizability 42.12 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11088 Specdb::CMs 43195 Specdb::CMs 148951 Specdb::MsMs 11279 Specdb::MsMs 11280 Specdb::MsMs 11281 Specdb::MsMs 17951 Specdb::MsMs 17952 Specdb::MsMs 17953 Specdb::MsMs 2677926 Specdb::MsMs 2677927 Specdb::MsMs 2677928 Specdb::MsMs 3031181 Specdb::MsMs 3031182 Specdb::MsMs 3031183 HMDB33280 #<Reference:0x000056142d1b7078> Fats and oils Unknown generic Herbs and Spices Unknown generic Olive Type 1 specific Olea europaea 4146 0.624127 0.757120006 0.447090873 mg/100 g Pomes Unknown generic phosphodiesterase inhibitor 1215 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.