1.0 2010-04-08 22:06:07 UTC 2025-11-18 22:55:24 UTC FDB004164 Muurolol Muurolol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Muurolol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Muurolol can be found in mugwort, which makes muurolol a potential biomarker for the consumption of this food product. C15H26O 222.372 222.198365457 (1R,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol delta-cadinol [H][C@@]12C=C(C)CC[C@]1([H])[C@](C)(O)CC[C@H]2C(C)C InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15+/m0/s1 LHYHMMRYTDARSZ-ZQDZILKHSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cadinane sesquiterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol logp 3.52 ALOGPS logs -3.60 ALOGPS solubility 5.57e-02 g/l ALOGPS logp 3.54 ChemAxon pka_strongest_basic -0.59 ChemAxon iupac (1R,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol ChemAxon average_mass 222.372 ChemAxon mono_mass 222.198365457 ChemAxon smiles [H][C@@]12C=C(C)CC[C@]1([H])[C@](C)(O)CC[C@H]2C(C)C ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15+/m0/s1 ChemAxon inchikey LHYHMMRYTDARSZ-ZQDZILKHSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.43 ChemAxon polarizability 27.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96990 Specdb::MsMs 96991 Specdb::MsMs 96992 Specdb::MsMs 161616 Specdb::MsMs 161617 Specdb::MsMs 161618 Specdb::MsMs 3600077 Specdb::MsMs 3600078 Specdb::MsMs 3600079 Specdb::MsMs 3600080 Specdb::MsMs 3600081 Specdb::MsMs 3600082 Mugwort Type 1 specific Artemisia vulgaris 4220