1.02010-04-08 22:07:07 UTC2019-11-26 03:01:06 UTCFDB006367alpha-ElemolAlpha-elemol, also known as α-elemol or elemol, (1r-(1alpha,3beta,4beta))-isomer, is a member of the class of compounds known as elemane sesquiterpenoids. Elemane sesquiterpenoids are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Alpha-elemol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-elemol is a sweet, green, and woody tasting compound and can be found in a number of food items such as hyssop, pepper (spice), wild celery, and coriander, which makes alpha-elemol a potential biomarker for the consumption of these food products. (-)-Elemola-ElemolCyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-Elemol (6CI)o-Menth-8-ene-4-methanol, alpha,alpha-dimethyl-1-vinyl-, (1S,2S,4R)-(-)- (8CI)C15H26O222.3663222.1983654542-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol639-99-6CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)OInChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1GFJIQNADMLPFOW-VNHYZAJKSA-N belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.Elemane sesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homomonocyclic compoundsHydrocarbon derivativesTertiary alcoholsAlcoholAliphatic homomonocyclic compoundElemane sesquiterpenoidHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundTertiary alcohollogp3.78logs-4.67solubility4.74e-03 g/llogp3.69pka_strongest_acidic19.32pka_strongest_basic-0.91iupac2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-olaverage_mass222.3663mono_mass222.198365454smilesCC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)OformulaC15H26OinchiInChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1inchikeyGFJIQNADMLPFOW-VNHYZAJKSA-Npolar_surface_area20.23refractivity70.21polarizability27.41rotatable_bond_count3acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsMs98553Specdb::MsMs98554Specdb::MsMs98555Specdb::MsMs163503Specdb::MsMs163504Specdb::MsMs163505Specdb::MsMs3602861Specdb::MsMs3602862Specdb::MsMs3602863Specdb::MsMs3602864Specdb::MsMs3602865Specdb::MsMs3602866Common oreganoType 1specificOriganum vulgare393520.150.150.15mg/100 gCorianderType 1specificCoriandrum sativum4047GingerType 1specificZingiber officinale943289.659.659.65mg/100 gGinkgo nutsType 1specificGinkgo biloba3311HyssopType 1specificHyssopus officinalis3932421.1130.4211.8mg/100 gOrange mintType 1specificMentha aquatica19090217.2517.2517.25mg/100 gPepper (Spice)Type 1specificPiper nigrum13216Pot marjoramType 1specificOriganum onites4524164.54.54.5mg/100 gRosemaryType 1specificRosmarinus officinalis393671.951.951.95mg/100 gSpearmintType 1specificMentha spicata29719Sweet basilType 1specificOcimum basilicum39350Sweet orangeType 1specificCitrus sinensis27112820.02820.02820.0mg/100 gWild celeryType 1specificApium graveolens4045greensweetwoodwoodyanti acetylcholinesterase76An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.anti ulcer676One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.