1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:01 UTC FDB019053 Argenteane Constituent of mace, Myristica argentea. Argenteane is found in herbs and spices. C40H46O8 654.7884 654.319268448 4-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-{5-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-hydroxy-3-methoxyphenyl}-6-methoxyphenol 4-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-{5-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-hydroxy-3-methoxyphenyl}-6-methoxyphenol COC1=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=CC(=C1O)C1=C(O)C(OC)=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1 InChI=1S/C40H46O8/c1-23(11-27-7-9-33-35(17-27)47-21-45-33)25(3)13-29-15-31(39(41)37(19-29)43-5)32-16-30(20-38(44-6)40(32)42)14-26(4)24(2)12-28-8-10-34-36(18-28)48-22-46-34/h7-10,15-20,23-26,41-42H,11-14,21-22H2,1-6H3 CZIXJKXAQLINMJ-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety. Dibenzylbutane lignans Organic compounds Lignans, neolignans and related compounds Dibenzylbutane lignans Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Biphenyls and derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Phenylpropanes Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Biphenyl Dibenzylbutane lignan skeleton Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Phenylpropane logp 7.42 ALOGPS logs -6.52 ALOGPS solubility 1.96e-04 g/l ALOGPS logp 9.94 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-{5-[3-(2H-1,3-benzodioxol-5-ylmethyl)-2-methylbutyl]-2-hydroxy-3-methoxyphenyl}-6-methoxyphenol ChemAxon average_mass 654.7884 ChemAxon mono_mass 654.319268448 ChemAxon smiles COC1=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=CC(=C1O)C1=C(O)C(OC)=CC(CC(C)C(C)CC2=CC3=C(OCO3)C=C2)=C1 ChemAxon formula C40H46O8 ChemAxon inchi InChI=1S/C40H46O8/c1-23(11-27-7-9-33-35(17-27)47-21-45-33)25(3)13-29-15-31(39(41)37(19-29)43-5)32-16-30(20-38(44-6)40(32)42)14-26(4)24(2)12-28-8-10-34-36(18-28)48-22-46-34/h7-10,15-20,23-26,41-42H,11-14,21-22H2,1-6H3 ChemAxon inchikey CZIXJKXAQLINMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 95.84 ChemAxon refractivity 184.89 ChemAxon polarizability 72.9 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21216 Specdb::CMs 651278 Specdb::CMs 651279 Specdb::CMs 651280 Specdb::CMs 651281 Specdb::CMs 793984 Specdb::MsMs 75189 Specdb::MsMs 75190 Specdb::MsMs 75191 Specdb::MsMs 134781 Specdb::MsMs 134782 Specdb::MsMs 134783 Specdb::MsMs 2775293 Specdb::MsMs 2775294 Specdb::MsMs 2775295 Specdb::MsMs 2906934 Specdb::MsMs 2906935 Specdb::MsMs 2906936 HMDB39454 #<Reference:0x000055ce324c5e68> Herbs and Spices Unknown generic