1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:46 UTC FDB011293 Sesamolinol Isolated from sesame seeds (Sesamum indicum). Sesamolinol is found in cereals and cereal products and sesame. C20H20O7 372.3686 372.120902994 4-{[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-2-methoxyphenol 4-{[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-2-methoxyphenol 100016-94-2 COC1=CC(OC2OCC3C2COC3C2=CC3=C(OCO3)C=C2)=CC=C1O InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3 OJVGWDJIYBTWDS-UHFFFAOYSA-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 Benzodioxoles 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 Benzodioxole Dialkyl ether Ether Furofuran Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Tetrahydrofuran a lignan logp 2.15 ALOGPS logs -3.54 ALOGPS solubility 1.08e-01 g/l ALOGPS logp 2.65 ChemAxon pka_strongest_acidic 10.28 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 4-{[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-2-methoxyphenol ChemAxon average_mass 372.3686 ChemAxon mono_mass 372.120902994 ChemAxon smiles COC1=CC(OC2OCC3C2COC3C2=CC3=C(OCO3)C=C2)=CC=C1O ChemAxon formula C20H20O7 ChemAxon inchi InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3 ChemAxon inchikey OJVGWDJIYBTWDS-UHFFFAOYSA-N ChemAxon polar_surface_area 75.61 ChemAxon refractivity 93.22 ChemAxon polarizability 38.14 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63078 Specdb::MsMs 63079 Specdb::MsMs 63080 Specdb::MsMs 119955 Specdb::MsMs 119956 Specdb::MsMs 119957 Specdb::MsMs 2791892 Specdb::MsMs 2791893 Specdb::MsMs 2791894 Specdb::MsMs 2916995 Specdb::MsMs 2916996 Specdb::MsMs 2916997 Specdb::CMs 12126 Specdb::CMs 43186 Specdb::CMs 167126 HMDB33270 #<Reference:0x000055ce302c3950> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Sesame Type 1 specific Sesamum orientale 4182 49.352941 55.705882353 43.0 mg/100 g