1.0 2010-04-08 22:07:07 UTC 2019-11-26 03:01:06 UTC FDB006367 alpha-Elemol Alpha-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. (-)-Elemol a-Elemol Cyclohexanemethanol, 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) C15H26O 222.3663 222.198365454 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol 639-99-6 CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O InChI=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/s1 GFJIQNADMLPFOW-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 sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Elemane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol logp 3.78 ALOGPS logs -4.67 ALOGPS solubility 4.74e-03 g/l ALOGPS logp 3.69 ChemAxon pka_strongest_acidic 19.32 ChemAxon pka_strongest_basic -0.91 ChemAxon iupac 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O ChemAxon formula C15H26O ChemAxon inchi InChI=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/s1 ChemAxon inchikey GFJIQNADMLPFOW-VNHYZAJKSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 70.21 ChemAxon polarizability 27.41 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98553 Specdb::MsMs 98554 Specdb::MsMs 98555 Specdb::MsMs 163503 Specdb::MsMs 163504 Specdb::MsMs 163505 Specdb::MsMs 3602861 Specdb::MsMs 3602862 Specdb::MsMs 3602863 Specdb::MsMs 3602864 Specdb::MsMs 3602865 Specdb::MsMs 3602866 Common oregano Type 1 specific Origanum vulgare 39352 0.15 0.15 0.15 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 Ginger Type 1 specific Zingiber officinale 94328 9.65 9.65 9.65 mg/100 g Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Hyssop Type 1 specific Hyssopus officinalis 39324 21.11 30.42 11.8 mg/100 g Orange mint Type 1 specific Mentha aquatica 190902 17.25 17.25 17.25 mg/100 g Pepper (Spice) Type 1 specific Piper nigrum 13216 Pot marjoram Type 1 specific Origanum onites 452416 4.5 4.5 4.5 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 1.95 1.95 1.95 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet orange Type 1 specific Citrus sinensis 2711 2820.0 2820.0 2820.0 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 green sweet wood woody anti acetylcholinesterase 76 An 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 ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.