1.02010-04-08 22:11:32 UTC2019-11-26 03:10:54 UTCFDB014910Perillaldehyde(s)-perillaldehyde, also known as P-mentha-1,8-dien-7-al, 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, (s)-perillaldehyde is considered to be an isoprenoid lipid molecule (s)-perillaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (s)-perillaldehyde is a cherry, fat, and fatty tasting compound found in herbs and spices, which makes (s)-perillaldehyde a potential biomarker for the consumption of this food product (s)-perillaldehyde can be found primarily in saliva. 4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde, 9CI4-Isopropenyl-1-cyclohexene-1-carboxaldehydePerillaaldehydePerillaldehydeC10H14O150.221150.1044650714-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde(+)-perillaldehyde2111-75-3[H]C(=O)C1=CCC(CC1)C(C)=CInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3RUMOYJJNUMEFDD-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These 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.Menthane monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsAldehydesHydrocarbon derivativesMonocyclic monoterpenoidsOrganic oxidesAldehydeAliphatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidCyclic monoterpenesMenthane monoterpenoidsMenthane monoterpenoidsa small moleculealdehydelogp2.97logs-2.41solubility5.81e-01 g/llogp2.25pka_strongest_basic-4.3iupac4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehydeaverage_mass150.221mono_mass150.104465071smiles[H]C(=O)C1=CCC(CC1)C(C)=CformulaC10H14OinchiInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3inchikeyRUMOYJJNUMEFDD-UHFFFAOYSA-Npolar_surface_area17.07refractivity47.27polarizability17.3rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr2034Specdb::MsIr2035Specdb::CMs1089Specdb::CMs5984Specdb::CMs28813Specdb::CMs29234Specdb::CMs31474Specdb::CMs149631Specdb::MsMs69477Specdb::MsMs69478Specdb::MsMs69479Specdb::MsMs127770Specdb::MsMs127771Specdb::MsMs127772Specdb::MsMs1475202Specdb::MsMs1475203Specdb::MsMs1475204Specdb::MsMs1475205Specdb::MsMs1475206Specdb::MsMs1475207Specdb::MsMs1475208Specdb::MsMs1475209Specdb::MsMs1475210Specdb::MsMs1475211Specdb::MsMs1475212Specdb::MsMs1475213Specdb::MsMs1475214Specdb::MsMs1475215Specdb::MsMs1475216Specdb::MsMs1475217Specdb::MsMs1475218Specdb::MsMs1475219Specdb::MsMs1475220BlackberryType 1specificRubusCarawayType 1specificCarum carvi48032CuminType 1specificCuminum cyminum5246233.633.633.6mg/100 gEvergreen blackberryType 1specificRubus laciniatusGingerType 1specificZingiber officinale94328LemonType 1specificCitrus limon2708LimeType 1specificCitrus aurantiifolia159033Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855710.50.50.5mg/100 gPepper (Spice)Type 1specificPiper nigrum13216SpearmintType 1specificMentha spicata29719Sweet orangeType 1specificCitrus sinensis27110.20.20.2mg/100 gWild celeryType 1specificApium graveolens40450.10.10.1mg/100 gcuminfatfreshgrassygreenherbalmintspicesweetacaricide16A substance used to destroy pests of the subclass Acari (mites and ticks).anti bacterial145A substance that kills or slows the growth of bacteria.anti melanomic425A substance that inhibits or prevents the proliferation of neoplasms.anti proliferative548anti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.candidicide756fungicide940A substance used to destroy fungal pests.mutagenic1125nematicide1141A substance used to destroy pests of the phylum Nematoda (roundworms).sedative1311A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.vibriocide1427