1.0 2016-10-03 18:35:19 UTC 2020-04-22 15:49:24 UTC BMDB0012270 BMDB12270 Nordihydroguaiaretate Nordihydroguaiaretic acid 1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethyl-butane 2,3-Bis(3,4-dihydroxyphenylmethyl)butane 4, 4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol) 4,4'- (2,3-Diemthyltetramethylene)-dipyrocatechol 4,4'-(2, 3-Dimethyltetramethylene)dipyrocatechol 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol) 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1, 2-benzenediol 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol dihydro-Dinorguaiaretic acid dihydro-Norguaiaretic acid Dihydronorguaiaretic acid NDGA Nordihydroguairaretic acid C18H22O4 302.3649 302.151809192 4-[(2S,3S)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol 4-[(2S,3S)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol C[C@@H](CC1=CC=C(O)C(O)=C1)[C@@H](C)CC1=CC=C(O)C(O)=C1 InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1 HCZKYJDFEPMADG-RYUDHWBXSA-N belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety. Organic compounds Lignans, neolignans and related compounds Dibenzylbutane lignans Dibenzylbutane lignans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Catechols Hydrocarbon derivatives Organooxygen compounds Phenylpropanes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Catechol Dibenzylbutane lignan skeleton Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenylpropane Aromatic homomonocyclic compounds Solid logp 3.44 ALOGPS logs -4.35 ALOGPS logp 4.76 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 4-[(2S,3S)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol ChemAxon average_mass 302.3649 ChemAxon mono_mass 302.151809192 ChemAxon smiles C[C@@H](CC1=CC=C(O)C(O)=C1)[C@@H](C)CC1=CC=C(O)C(O)=C1 ChemAxon formula C18H22O4 ChemAxon inchi InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1 ChemAxon inchikey HCZKYJDFEPMADG-RYUDHWBXSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 86.62 ChemAxon polarizability 32.37 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16006 Specdb::CMs 39892 Specdb::MsMs 301447 Specdb::MsMs 301448 Specdb::MsMs 301449 Specdb::MsMs 343969 Specdb::MsMs 343970 Specdb::MsMs 343971 Nordihydroguaiaretic acid