1.0 2010-04-08 22:07:29 UTC 2025-11-18 23:04:15 UTC FDB007171 Phytylplastoquinol Phytylplastoquinol, also known as 2,3-dimethyl-6-phytylbenzene-1,4-diol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Phytylplastoquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phytylplastoquinol can be found in spinach, which makes phytylplastoquinol a potential biomarker for the consumption of this food product. C28H48O2 416.69 416.365430786 2,3-dimethyl-5-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol 2,3-dimethyl-5-phytylquinol CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(O)C(C)=C(C)C(O)=C1 InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+/t21-,22-/m1/s1 SUFZKUBNOVDJRR-WGEODTKDSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Hydroquinones Meta cresols Organooxygen compounds Ortho cresols Prenylated hydroquinones o-Xylenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Diterpenoid Hydrocarbon derivative Hydroquinone M-cresol Monocyclic benzene moiety O-cresol O-xylene Organic oxygen compound Organooxygen compound Phenol Prenylbenzoquinol Xylene 2,3-dimethyl-6-phytylhydroquinone logp 8.65 ALOGPS logs -6.70 ALOGPS solubility 8.26e-05 g/l ALOGPS logp 10.32 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 2,3-dimethyl-5-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol ChemAxon average_mass 416.69 ChemAxon mono_mass 416.365430786 ChemAxon smiles CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(O)C(C)=C(C)C(O)=C1 ChemAxon formula C28H48O2 ChemAxon inchi InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+/t21-,22-/m1/s1 ChemAxon inchikey SUFZKUBNOVDJRR-WGEODTKDSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 133.2 ChemAxon polarizability 54.36 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088540 Specdb::EiMs 4284 Specdb::MsMs 104766 Specdb::MsMs 104767 Specdb::MsMs 104768 Specdb::MsMs 171105 Specdb::MsMs 171106 Specdb::MsMs 171107 Specdb::MsMs 3603764 Specdb::MsMs 3603765 Specdb::MsMs 3603766 Specdb::MsMs 3604735 Specdb::MsMs 3604736 Specdb::MsMs 3604737 Spinach Type 1 specific Spinacia oleracea 3562