1.02010-04-08 22:04:58 UTC2020-09-17 15:32:29 UTCFDB001462cis-beta-OcimeneCis-beta-Ocimene is a naturally occurring organic compound found within a variety of plants and fruits. It is formally classified as an alkatriene although it is biochemically an acyclic monoterpene as it synthesized via multiple isoprene units. Acyclic monoterpens do not contain a cycle. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in plastids (PMID: 7640522). There are three known Ocimene isomers including Alpha-, cis-Beta and trans-Beta-Ocimene. Alpha-Ocimene is known as 3,7-dimethyl-1,3,7-octatriene. Beta-Ocimene is known as 3,7-dimethyl-1,3,6-octatriene. Beta-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. Ocimenes are believed to act as plant defense chemicals and have anti-fungal properties. Cis-beta-Ocimene is a neutral, very hydrophobic molecule, practically insoluble in water. It exists as a pale, colorless oil. cis-Beta-Ocimene has a warm, floral, sweet odor and has a spicy, green, metallic taste. It is found naturally in a number of plants and foods including allspice, anise, basil, bay leaf, caraway seed, celery, cinnamon, coriander, dill, fennel, grapefruit, guava, lavender, lemons, limes, mandarin oranges, papaya and parsley.(3Z)-3,7-Dimethyl-1,3,6-octatriene(Z)-3,7-Dimethyl-1,3,6-octatriene(Z)-3,7-Dimethylocta-1,3,6,-triene(Z)-beta-Ocimeneβ-(Z)-Ocimeneβ-cis-Ocimene1,3,6-Octatriene, 3,7-dimethyl-, (3Z)-1,3,6-Octatriene, 3,7-dimethyl-, (Z)-3,7-Dimethyl-(3Z)-1,3,6-octatriene3,7-Dimethyl-(Z)-1,3,6-octatrienebeta -(Z)-Ocimenebeta -cis-Ocimenebeta-cis-Ocimenecis-β-Ocimenecis-3,7-Dimethyl-1,3,6-octatrienecis-beta -Ocimenecis-beta-Ocimenecis-OcimeneZ-β-OcimeneZ-beta -OcimeneZ-OcimeneC10H16136.234136.125200512(3Z)-3,7-dimethylocta-1,3,6-triene(Z)-β-ocimene3338-55-4CC(C)=CC\C=C(\C)C=CInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-IHPKGUQCSIINRJ-NTMALXAHSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.Acyclic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic acyclic compoundsAlkatrienesBranched unsaturated hydrocarbonsUnsaturated aliphatic hydrocarbonsAcyclic monoterpenoidAcyclic olefinAliphatic acyclic compoundAlkatrieneBranched unsaturated hydrocarbonHydrocarbonOlefinUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonAcyclic monoterpenoidsmonoterpeneLiquidlogp4.30logs-2.91solubility1.67e-01 g/llogp3.48iupac(3Z)-3,7-dimethylocta-1,3,6-trieneaverage_mass136.234mono_mass136.125200512smilesCC(C)=CC\C=C(\C)C=CformulaC10H16inchiInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-inchikeyIHPKGUQCSIINRJ-NTMALXAHSA-Npolar_surface_area0refractivity49.45polarizability17.18rotatable_bond_count3acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1711Specdb::CMs2382Specdb::CMs103756Specdb::CMs168010Specdb::MsMs47523Specdb::MsMs47524Specdb::MsMs47525Specdb::MsMs115197Specdb::MsMs115198Specdb::MsMs115199Specdb::MsMs2266311Specdb::MsMs2266312Specdb::MsMs2266313Specdb::MsMs3075243Specdb::MsMs3075244Specdb::MsMs3075245HMDB30088#<Reference:0x0000555676330fc8>AllspiceType 1specificPimenta dioica375272AniseType 1specificPimpinella anisum2711922.52.52.5mg/100 gBlack teaType 1BlackcurrantType 1specificRibes nigrum78511CarawayType 1specificCarum carvi48032CarrotType 1specificDaucus carota ssp. sativus79200CeleriacType 1specificApium graveolens var. rapaceum278110Celery stalksType 1specificApium graveolens var. dulce117781Ceylon cinnamonType 1specificCinnamomum verum1286080.750.750.75mg/100 gCommon oreganoType 1specificOriganum vulgare3935269.8569.8569.85mg/100 gCommon sageType 1specificSalvia officinalis38868CorianderType 1specificCoriandrum sativum4047CornmintType 1specificMentha arvensis292239DillType 1specificAnethum graveolens40922FennelType 1specificFoeniculum vulgare4803832.032.032.0mg/100 gGreen bell pepperType 1specificCapsicum annuum4072Green teaType 1GuavaType 1specificPsidium guajava120290Herbal teaType 1HyssopType 1specificHyssopus officinalis3932415.44666736.0050.33mg/100 gLemonType 1specificCitrus limon2708Lemon balmType 1specificMelissa officinalis393381.251.251.25mg/100 gMandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571Orange mintType 1specificMentha aquatica1909020.60.60.6mg/100 gPapayaType 1specificCarica papaya3649ParsleyType 1specificPetroselinum crispum4043ParsnipType 1specificPastinaca sativa4041Pepper (Spice)Type 1specificPiper nigrum13216Pot marjoramType 1specificOriganum onites4524160.0050.0050.005mg/100 gRed teaType 1RosemaryType 1specificRosmarinus officinalis393673.7553.7553.755mg/100 gSpearmintType 1specificMentha spicata2971934.334.334.3mg/100 gStar aniseType 1specificIllicium verum12477810.010.010.0mg/100 gSweet basilType 1specificOcimum basilicum3935012.7512.7512.75mg/100 gSweet bayType 1specificLaurus nobilis85223Sweet orangeType 1specificCitrus sinensis2711TarragonType 1specificArtemisia dracunculus72341TeaType 1specificCamellia sinensis4442Wild celeryType 1specificApium graveolens4045225.0225.0225.0mg/100 gWinter savoryType 1specificSatureja montana499881.81.81.8mg/100 gcitrusfloralflowerherbsweetwarmanti bacterial145A substance that kills or slows the growth of bacteria.anti staphylococcic627A substance that kills or slows the growth of bacteria.fungicide940A substance used to destroy fungal pests.