1.0 2010-04-08 22:15:10 UTC 2019-11-26 03:19:15 UTC FDB020656 O-Ethylcubebin Constituent of Piper cubeba (cubeb pepper). O-Ethylcubebin is found in herbs and spices. O-Ethylcubebin C22H24O6 384.4224 384.1572885 5-{[4-(2H-1,3-benzodioxol-5-ylmethyl)-5-ethoxyoxolan-3-yl]methyl}-2H-1,3-benzodioxole 5-{[4-(2H-1,3-benzodioxol-5-ylmethyl)-5-ethoxyoxolan-3-yl]methyl}-2H-1,3-benzodioxole 146830-09-3 CCOC1OCC(CC2=CC3=C(OCO3)C=C2)C1CC1=CC2=C(OCO2)C=C1 InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3 DPOGOONVHHNDDP-UHFFFAOYSA-N belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group). 9,9'-epoxylignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteropolycyclic compounds Acetals Benzenoids Benzodioxoles Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans 9,9p-epoxylignan Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.14 ALOGPS logs -5.00 ALOGPS solubility 3.83e-03 g/l ALOGPS logp 4.18 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5-{[4-(2H-1,3-benzodioxol-5-ylmethyl)-5-ethoxyoxolan-3-yl]methyl}-2H-1,3-benzodioxole ChemAxon average_mass 384.4224 ChemAxon mono_mass 384.1572885 ChemAxon smiles CCOC1OCC(CC2=CC3=C(OCO3)C=C2)C1CC1=CC2=C(OCO2)C=C1 ChemAxon formula C22H24O6 ChemAxon inchi InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3 ChemAxon inchikey DPOGOONVHHNDDP-UHFFFAOYSA-N ChemAxon polar_surface_area 55.38 ChemAxon refractivity 101.01 ChemAxon polarizability 40.35 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17021 Specdb::CMs 173135 Specdb::MsMs 6716 Specdb::MsMs 6717 Specdb::MsMs 6718 Specdb::MsMs 13388 Specdb::MsMs 13389 Specdb::MsMs 13390 Specdb::MsMs 2693369 Specdb::MsMs 2693370 Specdb::MsMs 2693371 Specdb::MsMs 2984861 Specdb::MsMs 2984862 Specdb::MsMs 2984863 HMDB40834 #<Reference:0x000055ce32dbb3b0> Herbs and Spices Unknown generic