1.0 2010-04-08 22:12:14 UTC 2019-11-26 03:12:43 UTC FDB016087 3-Methyl-2-butenyl-(-)-piperitol Constituent of Zanthoxylum piperitum (Japanese pepper tree). 3-Methyl-2-butenyl-(-)-piperitol is found in herbs and spices. 3-Methyl-2-butenyl-(-)-piperitol C25H28O6 424.4862 424.188588628 5-[4-(3-methoxy-4-{[(1Z)-3-methylbut-1-en-1-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole 5-[4-(3-methoxy-4-{[(1Z)-3-methylbut-1-en-1-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole 54631-93-5 COC1=C(O\C=C/C(C)C)C=CC(=C1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1 InChI=1S/C25H28O6/c1-15(2)8-9-27-20-6-4-16(10-22(20)26-3)24-18-12-29-25(19(18)13-28-24)17-5-7-21-23(11-17)31-14-30-21/h4-11,15,18-19,24-25H,12-14H2,1-3H3/b9-8- NXUQPWMHPDPMCA-HJWRWDBZSA-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 Acetals Alkyl aryl ethers Anisoles Benzodioxoles Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Methoxybenzenes Oxacyclic compounds Phenoxy compounds Tetrahydrofurans Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Ether Furanoid lignan Furofuran Furofuran lignan skeleton Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Tetrahydrofuran logp 4.04 ALOGPS logs -5.51 ALOGPS solubility 1.31e-03 g/l ALOGPS melting_point Mp 58-59° logp 4.13 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 5-[4-(3-methoxy-4-{[(1Z)-3-methylbut-1-en-1-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole ChemAxon average_mass 424.4862 ChemAxon mono_mass 424.188588628 ChemAxon smiles COC1=C(O\C=C/C(C)C)C=CC(=C1)C1OCC2C1COC2C1=CC2=C(OCO2)C=C1 ChemAxon formula C25H28O6 ChemAxon inchi InChI=1S/C25H28O6/c1-15(2)8-9-27-20-6-4-16(10-22(20)26-3)24-18-12-29-25(19(18)13-28-24)17-5-7-21-23(11-17)31-14-30-21/h4-11,15,18-19,24-25H,12-14H2,1-3H3/b9-8- ChemAxon inchikey NXUQPWMHPDPMCA-HJWRWDBZSA-N ChemAxon polar_surface_area 55.38 ChemAxon refractivity 115.42 ChemAxon polarizability 46.39 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17200 Specdb::CMs 173724 Specdb::MsMs 92385 Specdb::MsMs 92386 Specdb::MsMs 92387 Specdb::MsMs 155985 Specdb::MsMs 155986 Specdb::MsMs 155987 Specdb::MsMs 2764847 Specdb::MsMs 2764848 Specdb::MsMs 2764849 Specdb::MsMs 2944018 Specdb::MsMs 2944019 Specdb::MsMs 2944020 HMDB37097 #<Reference:0x000055ce30e5d428> Herbs and Spices Unknown generic