1.0 2010-04-08 22:13:41 UTC 2019-11-26 03:16:07 UTC FDB018404 Sesaminol Found in sesame seed and oxidised sesame oil 2-(2-Hydroxy-3,4-methylenedioxyphenyl)-6-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo[3.3.0]octane 2-Hydroxy-3',4':4,5-bis(methylenedioxy)-7,9':7',9-diepoxylignan Justisolin Sesaminol C20H18O7 370.3527 370.10525293 6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol 6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol 74061-79-3 OC1=CC2=C(OCO2)C=C1C1OCC2C1COC2C1=CC2=C(OCO2)C=C1 InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2 KQRXQIPRDKVZPW-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 Acetals Benzodioxoles Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran logp 1.98 ALOGPS logs -3.02 ALOGPS solubility 3.53e-01 g/l ALOGPS melting_point Mp 146-148° logp 2.14 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol ChemAxon average_mass 370.3527 ChemAxon mono_mass 370.10525293 ChemAxon smiles OC1=CC2=C(OCO2)C=C1C1OCC2C1COC2C1=CC2=C(OCO2)C=C1 ChemAxon formula C20H18O7 ChemAxon inchi InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2 ChemAxon inchikey KQRXQIPRDKVZPW-UHFFFAOYSA-N ChemAxon polar_surface_area 75.61 ChemAxon refractivity 91.73 ChemAxon polarizability 37.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8507 Specdb::MsMs 8508 Specdb::MsMs 8509 Specdb::MsMs 15179 Specdb::MsMs 15180 Specdb::MsMs 15181 Specdb::MsMs 2787499 Specdb::MsMs 2787500 Specdb::MsMs 2787501 Specdb::MsMs 2917601 Specdb::MsMs 2917602 Specdb::MsMs 2917603 Specdb::CMs 21651 Specdb::CMs 46156 Specdb::CMs 119372 Specdb::CMs 158377 Specdb::CMs 980064 HMDB38932 #<Reference:0x000055ce3066b670> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Flaxseed Type 1 specific Linum usitatissimum 4006 0.0 0.0 0.0 mg/100 g Sesame Type 1 specific Sesamum orientale 4182 211.736313 305.425862107 102.86000061 mg/100 g