1.02010-04-08 22:07:24 UTC2019-11-26 03:01:25 UTCFDB007010SalviolSalviol is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Salviol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Salviol can be found in common sage, which makes salviol a potential biomarker for the consumption of this food product. C20H30O2302.451302.224580204(4aS)-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-3,6-diol(4aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diolCC(C)C1=C(O)C=C2C(CCC3C(C)(C)CC(O)C[C@]23C)=C1InChI=1S/C20H30O2/c1-12(2)15-8-13-6-7-18-19(3,4)10-14(21)11-20(18,5)16(13)9-17(15)22/h8-9,12,14,18,21-22H,6-7,10-11H2,1-5H3/t14?,18?,20-/m1/s1PRYXPGFZVGZNBL-FPMRRHDISA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.DiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsDiterpenoidsAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsCyclic alcohols and derivativesHydrocarbon derivativesHydrophenanthrenesSecondary alcoholsTetralins1-hydroxy-2-unsubstituted benzenoidAbietane diterpenoidAlcoholAromatic homopolycyclic compoundBenzenoidCyclic alcoholDiterpenoidHydrocarbon derivativeHydrophenanthreneOrganic oxygen compoundOrganooxygen compoundPhenanthreneSecondary alcoholTetralinlogp5.35logs-4.63solubility7.11e-03 g/llogp4.87pka_strongest_acidic10.8pka_strongest_basic-2.7iupac(4aS)-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-3,6-diolaverage_mass302.451mono_mass302.224580204smilesCC(C)C1=C(O)C=C2C(CCC3C(C)(C)CC(O)C[C@]23C)=C1formulaC20H30O2inchiInChI=1S/C20H30O2/c1-12(2)15-8-13-6-7-18-19(3,4)10-14(21)11-20(18,5)16(13)9-17(15)22/h8-9,12,14,18,21-22H,6-7,10-11H2,1-5H3/t14?,18?,20-/m1/s1inchikeyPRYXPGFZVGZNBL-FPMRRHDISA-Npolar_surface_area40.46refractivity91.38polarizability36.61rotatable_bond_count1acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::MsMs82170Specdb::MsMs82171Specdb::MsMs82172Specdb::MsMs143463Specdb::MsMs143464Specdb::MsMs143465Specdb::MsMs3603548Specdb::MsMs3603549Specdb::MsMs3603550Specdb::MsMs3603551Specdb::MsMs3603552Specdb::MsMs3603553Common sageType 1specificSalvia officinalis38868anti bacterial145A substance that kills or slows the growth of bacteria.cytostatic858pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.