1.02010-04-08 22:06:49 UTC2021-12-03 17:34:26 UTCFDB005720delta-CadinolDelta-cadinol, also known as δ-cadinol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Delta-cadinol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Delta-cadinol is a herbal tasting compound and can be found in a number of food items such as cloves, parsley, lemon balm, and common sage, which makes delta-cadinol a potential biomarker for the consumption of these food products. CedreanolSesquigoyolTorreyolC15H26O222.372222.198365457(1R,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-oldelta-cadinol36564-42-8[H][C@@]1(CC=C(C)C2([H])CCC(C)(O)CC12[H])C(C)CInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h5,10,12-14,16H,6-9H2,1-4H3/t12-,13?,14?,15?/m1/s1ISOIDIYKQYJGMC-AUXXQLBISA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsCyclic alcohols and derivativesHydrocarbon derivativesTertiary alcoholsAlcoholAliphatic homopolycyclic compoundCadinane sesquiterpenoidCyclic alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidTertiary alcohollogp3.52logs-3.60solubility5.57e-02 g/llogp3.54pka_strongest_basic-0.59iupac(1R,4S,4aR,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-olaverage_mass222.372mono_mass222.198365457smiles[H][C@@]1(CC=C(C)C2([H])CCC(C)(O)CC12[H])C(C)CformulaC15H26OinchiInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h5,10,12-14,16H,6-9H2,1-4H3/t12-,13?,14?,15?/m1/s1inchikeyISOIDIYKQYJGMC-AUXXQLBISA-Npolar_surface_area20.23refractivity69.43polarizability27.45rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsMs96990Specdb::MsMs96991Specdb::MsMs96992Specdb::MsMs161616Specdb::MsMs161617Specdb::MsMs161618Specdb::MsMs3600077Specdb::MsMs3600078Specdb::MsMs3600079Specdb::MsMs3600080Specdb::MsMs3600081Specdb::MsMs3600082ClovesType 1specificSyzygium aromaticum219868Common oreganoType 1specificOriganum vulgare393520.250.250.25mg/100 gCommon sageType 1specificSalvia officinalis38868Lemon balmType 1specificMelissa officinalis393380.850.850.85mg/100 gParsleyType 1specificPetroselinum crispum4043SunflowerType 1specificHelianthus annuus4232herbherbaltermiticide1349