1.0 2010-04-08 22:10:11 UTC 2019-11-26 03:06:52 UTC FDB012470 Guaiacin Constituent of Myristica fragrans (nutmeg). Guaiacin is found in ucuhuba and herbs and spices. (+)-Guaiacin 4,4'-Dihydroxy-3',5-dimethoxy-2,7'-cyclolignan 5,6,7,8-Tetrahydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol, 9CI C20H24O4 328.4022 328.167459256 8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol 8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol 36531-08-5 COC1=C(O)C=C2C(C(C)C(C)CC2=C1)C1=CC(OC)=C(O)C=C1 InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3 TZAAYUCUPIYQBR-UHFFFAOYSA-N belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. Aryltetralin lignans Organic compounds Lignans, neolignans and related compounds Aryltetralin lignans Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Phenoxy compounds Tetralins 1-aryltetralin lignan 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Tetralin logp 4.08 ALOGPS logs -4.55 ALOGPS solubility 9.27e-03 g/l ALOGPS melting_point Mp 204-206° (198-200°) logp 4.5 ChemAxon pka_strongest_acidic 9.85 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol ChemAxon average_mass 328.4022 ChemAxon mono_mass 328.167459256 ChemAxon smiles COC1=C(O)C=C2C(C(C)C(C)CC2=C1)C1=CC(OC)=C(O)C=C1 ChemAxon formula C20H24O4 ChemAxon inchi InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3 ChemAxon inchikey TZAAYUCUPIYQBR-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 94.17 ChemAxon polarizability 36.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11189 Specdb::CMs 43745 Specdb::CMs 168703 Specdb::MsMs 7727 Specdb::MsMs 7728 Specdb::MsMs 7729 Specdb::MsMs 14399 Specdb::MsMs 14400 Specdb::MsMs 14401 Specdb::MsMs 2270653 Specdb::MsMs 2270654 Specdb::MsMs 2270655 Specdb::MsMs 3068114 Specdb::MsMs 3068115 Specdb::MsMs 3068116 HMDB34178 #<Reference:0x000055ce31dd28b8> Herbs and Spices Unknown generic Ucuhuba Type 1 specific Virola surinamensis 224910