1.0 2010-04-08 22:10:46 UTC 2019-11-26 03:08:34 UTC FDB013544 Valerianol Constituent of the root of Valeriana officinalis (valerian). Valerianol is found in tea, fats and oils, and herbs and spices. (+)-Valerianol Kusenol Kusunol Valerianol C15H26O 222.3663 222.198365454 2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol 20489-45-6 CC1CCC=C2CCC(CC12C)C(C)(C)O InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3 MQWIFDHBNGIVPO-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 sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Eremophilane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol logp 4.69 ALOGPS logs -3.74 ALOGPS solubility 4.06e-02 g/l ALOGPS logp 3.47 ChemAxon pka_strongest_acidic 19.29 ChemAxon pka_strongest_basic -0.92 ChemAxon iupac 2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC1CCC=C2CCC(CC12C)C(C)(C)O ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3 ChemAxon inchikey MQWIFDHBNGIVPO-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.43 ChemAxon polarizability 27.51 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15791 Specdb::CMs 44103 Specdb::CMs 167144 Specdb::MsMs 9107 Specdb::MsMs 9108 Specdb::MsMs 9109 Specdb::MsMs 15779 Specdb::MsMs 15780 Specdb::MsMs 15781 Specdb::MsMs 2757003 Specdb::MsMs 2757004 Specdb::MsMs 2757005 Specdb::MsMs 2948871 Specdb::MsMs 2948872 Specdb::MsMs 2948873 HMDB34951 #<Reference:0x000055ce307acd68> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442