1.02010-04-08 22:06:24 UTC2019-11-26 03:00:14 UTCFDB004797NeoisodihydrocarveolNeoisodihydrocarveol, also known as (1s,2r,4r)-neoiso-dihydrocarveol or (1r,2s,5r)-5-isopropenyl-2-methylcyclohexanol, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Thus, neoisodihydrocarveol is considered to be an isoprenoid lipid molecule. Neoisodihydrocarveol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Neoisodihydrocarveol can be found in caraway and wild celery, which makes neoisodihydrocarveol a potential biomarker for the consumption of these food products. Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1alpha,2alpha,5alpha)-Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-DihydroneoisocarveolNeoisocarveol, dihydroC10H18O154.2493154.13576519818675-34-8C[C@H]1CC[C@H](C[C@H]1O)C(C)=CInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1KRCZYMFUWVJCLI-IVZWLZJFSA-Naverage_mass154.2493mono_mass154.135765198smilesC[C@H]1CC[C@H](C[C@H]1O)C(C)=CformulaC10H18OinchiInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1inchikeyKRCZYMFUWVJCLI-IVZWLZJFSA-NSpecdb::MsMs50916Specdb::MsMs50917Specdb::MsMs50918Specdb::MsMs156435Specdb::MsMs156436Specdb::MsMs156437Specdb::MsMs3600977Specdb::MsMs3600978Specdb::MsMs3600979Specdb::MsMs3600980Specdb::MsMs3600981Specdb::MsMs3600982CarawayType 1specificCarum carvi48032Wild celeryType 1specificApium graveolens4045