1.0 2010-04-08 22:12:03 UTC 2019-11-26 03:12:12 UTC FDB015776 Sclareol Constituent of Salvia sclarea (clary sage). Sclareol is found in many foods, some of which are common thyme, herbs and spices, tea, and nutmeg. (13R)-Labd-14-ene-8,13-diol labd-14-ene-8,13-diol Labd-14-ene-8,13-diol, (13R)- Sclareol C20H36O2 308.4986 308.271530396 1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol sclareol 515-03-7 CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3 XVULBTBTFGYVRC-UHFFFAOYSA-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 Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Diterpenoid Hydrocarbon derivative Labdane diterpenoid Organic oxygen compound Organooxygen compound Tertiary alcohol a diterpenoid logp 4.39 ALOGPS logs -5.42 ALOGPS solubility 1.17e-03 g/l ALOGPS melting_point Mp 105.5-106° logp 4.34 ChemAxon pka_strongest_acidic 18.25 ChemAxon pka_strongest_basic -0.41 ChemAxon iupac 1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol ChemAxon average_mass 308.4986 ChemAxon mono_mass 308.271530396 ChemAxon smiles CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C ChemAxon formula C20H36O2 ChemAxon inchi InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3 ChemAxon inchikey XVULBTBTFGYVRC-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 92.98 ChemAxon polarizability 37.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19551 Specdb::CMs 45058 Specdb::CMs 174713 Specdb::MsMs 7190 Specdb::MsMs 7191 Specdb::MsMs 7192 Specdb::MsMs 8261 Specdb::MsMs 8262 Specdb::MsMs 8263 Specdb::MsMs 13862 Specdb::MsMs 13863 Specdb::MsMs 13864 Specdb::MsMs 14933 Specdb::MsMs 14934 Specdb::MsMs 14935 Specdb::MsMs 2261518 Specdb::MsMs 2261519 Specdb::MsMs 2261520 Specdb::MsMs 3077175 Specdb::MsMs 3077176 Specdb::MsMs 3077177 HMDB36827 9053 #<Reference:0x000055ce3326b0b8> #<Reference:0x000055ce3326af00> #<Reference:0x000055ce3326ad48> #<Reference:0x000055ce3326ab90> Alcoholic beverages Unknown generic Black tea Type 1 Common thyme Type 1 specific Thymus vulgaris 49992 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 amber balsam clary sweet weedy woody Allelopathic 42 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Fungicide 940 A substance used to destroy fungal pests. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.