1.0 2010-04-08 22:06:07 UTC 2025-11-18 22:55:23 UTC FDB004158 beta-Cadinol Beta-cadinol is also known as β-cadinol. Beta-cadinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-cadinol can be found in mugwort and sweet basil, which makes beta-cadinol a potential biomarker for the consumption of these food products. C15H26O 222.372 222.198365457 (1S,4R)-1-methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalen-1-ol (1S,4R)-4-isopropyl-1-methyl-6-methylidene-octahydronaphthalen-1-ol [H][C@@]1(CC[C@](C)(O)C2([H])CCC(=C)CC12[H])C(C)C InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15+/m1/s1 DCGIIRVFKWJQME-URGYJCLVSA-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 3.40 ALOGPS logs -4.05 ALOGPS solubility 1.96e-02 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_basic -0.6 ChemAxon iupac (1S,4R)-1-methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalen-1-ol ChemAxon average_mass 222.372 ChemAxon mono_mass 222.198365457 ChemAxon smiles [H][C@@]1(CC[C@](C)(O)C2([H])CCC(=C)CC12[H])C(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/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15+/m1/s1 ChemAxon inchikey DCGIIRVFKWJQME-URGYJCLVSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 68.36 ChemAxon polarizability 27.54 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83523 Specdb::MsMs 83524 Specdb::MsMs 83525 Specdb::MsMs 145140 Specdb::MsMs 145141 Specdb::MsMs 145142 Specdb::MsMs 3600062 Specdb::MsMs 3600063 Specdb::MsMs 3600064 Specdb::MsMs 3600065 Specdb::MsMs 3600066 Specdb::MsMs 3600067 Mugwort Type 1 specific Artemisia vulgaris 4220 Sweet basil Type 1 specific Ocimum basilicum 39350