1.02010-04-08 22:10:46 UTC2019-11-26 03:08:34 UTCFDB013544ValerianolConstituent of the root of Valeriana officinalis (valerian). Valerianol is found in tea, fats and oils, and herbs and spices.(+)-ValerianolKusenolKusunolValerianolC15H26O222.3663222.1983654542-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol20489-45-6CC1CCC=C2CCC(CC12C)C(C)(C)OInChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3MQWIFDHBNGIVPO-UHFFFAOYSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsHydrocarbon derivativesTertiary alcoholsAlcoholAliphatic homopolycyclic compoundEremophilane sesquiterpenoidHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundTertiary alcohollogp4.69logs-3.74solubility4.06e-02 g/llogp3.47pka_strongest_acidic19.29pka_strongest_basic-0.92iupac2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-olaverage_mass222.3663mono_mass222.198365454smilesCC1CCC=C2CCC(CC12C)C(C)(C)OformulaC15H26OinchiInChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3inchikeyMQWIFDHBNGIVPO-UHFFFAOYSA-Npolar_surface_area20.23refractivity69.43polarizability27.51rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs15791Specdb::CMs44103Specdb::CMs167144Specdb::MsMs9107Specdb::MsMs9108Specdb::MsMs9109Specdb::MsMs15779Specdb::MsMs15780Specdb::MsMs15781Specdb::MsMs2757003Specdb::MsMs2757004Specdb::MsMs2757005Specdb::MsMs2948871Specdb::MsMs2948872Specdb::MsMs2948873HMDB34951#<Reference:0x00005556759fb430>Black teaType 1Fats and oilsUnknowngenericGreen teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1TeaType 1specificCamellia sinensis4442