1.0 2010-04-08 22:10:11 UTC 2025-11-18 23:37:05 UTC FDB012471 Malabaricano Isolated from Myristica fragrans. Malabaricano is found in herbs and spices. 4,4'-Dihydroxy-3,3'-dimethoxy-7,7'-epoxylignan; (2a,3b,4b,5a)-form Calophyllin Homocysteine sulfonamide Malabaricanol Nectandrin B Tetrahydrofuroguaiacin A C20H24O5 344.4016 344.162373878 4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol 4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol 74683-16-2 COC1=C(O)C=CC(=C1)C1OC(C(C)C1C)C1=CC(OC)=C(O)C=C1 InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3 GMXMKSFJQLFOSO-UHFFFAOYSA-N belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. 7,7'-epoxylignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Dialkyl ethers Dibenzylbutane lignans Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 7,7p-epoxylignan Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Dialkyl ether Dibenzylbutane lignan skeleton Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran logp 3.54 ALOGPS logs -4.28 ALOGPS solubility 1.83e-02 g/l ALOGPS logp 3.91 ChemAxon pka_strongest_acidic 9.61 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol ChemAxon average_mass 344.4016 ChemAxon mono_mass 344.162373878 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OC(C(C)C1C)C1=CC(OC)=C(O)C=C1 ChemAxon formula C20H24O5 ChemAxon inchi InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3 ChemAxon inchikey GMXMKSFJQLFOSO-UHFFFAOYSA-N ChemAxon polar_surface_area 68.15 ChemAxon refractivity 94.95 ChemAxon polarizability 37.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21486 Specdb::CMs 43746 Specdb::CMs 135025 Specdb::CMs 142759 Specdb::MsMs 7745 Specdb::MsMs 7746 Specdb::MsMs 7747 Specdb::MsMs 12470 Specdb::MsMs 12471 Specdb::MsMs 12472 Specdb::MsMs 14417 Specdb::MsMs 14418 Specdb::MsMs 14419 Specdb::MsMs 19142 Specdb::MsMs 19143 Specdb::MsMs 19144 Specdb::MsMs 452153 Specdb::MsMs 452154 Specdb::MsMs 2764341 Specdb::MsMs 2764342 Specdb::MsMs 2764343 Specdb::MsMs 2941504 Specdb::MsMs 2941505 Specdb::MsMs 2941506 HMDB0034179 Herbs and Spices Unknown generic