1.0 2010-04-08 22:10:08 UTC 2025-11-18 23:36:09 UTC FDB012387 Sesamolin Constituent of sesame oil. Sesamolin is found in flaxseed, fats and oils, and sesame. (+)-Sesamolin Sesamolin Sesamolinol C20H18O7 370.3527 370.10525293 5-[4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole sesamolin 526-07-8 C1OC2=C(O1)C=C(OC1OCC3C1COC3C1=CC3=C(OCO3)C=C1)C=C2 InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2 ZZMNWJVJUKMZJY-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Benzenoids Dialkyl ethers Furofurans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Ether Furofuran Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran a lignan logp 2.21 ALOGPS logs -3.56 ALOGPS solubility 1.02e-01 g/l ALOGPS melting_point Mp 94° logp 2.74 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 5-[4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole ChemAxon average_mass 370.3527 ChemAxon mono_mass 370.10525293 ChemAxon smiles C1OC2=C(O1)C=C(OC1OCC3C1COC3C1=CC3=C(OCO3)C=C1)C=C2 ChemAxon formula C20H18O7 ChemAxon inchi InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2 ChemAxon inchikey ZZMNWJVJUKMZJY-UHFFFAOYSA-N ChemAxon polar_surface_area 64.61 ChemAxon refractivity 90.55 ChemAxon polarizability 37.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14716 Specdb::CMs 162074 Specdb::MsMs 46077 Specdb::MsMs 46078 Specdb::MsMs 46079 Specdb::MsMs 143640 Specdb::MsMs 143641 Specdb::MsMs 143642 Specdb::MsMs 2708075 Specdb::MsMs 2708076 Specdb::MsMs 2708077 Specdb::MsMs 3001093 Specdb::MsMs 3001094 Specdb::MsMs 3001095 HMDB34119 #<Reference:0x000055ce31a65d60> Fats and oils 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 221.466575 287.333114124 133.940002441 mg/100 g