1.02010-04-08 22:05:00 UTC2019-11-26 02:56:34 UTCFDB001525alpha-YlangeneAlpha-ylangene, also known as α-ylangene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Alpha-ylangene can be found in a number of food items such as sweet bay, spearmint, cardamom, and rosemary, which makes alpha-ylangene a potential biomarker for the consumption of these food products.α-yalangeneα-ylangeneIlagenC15H24204.3511204.187800768(1S,6R,7R,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene(1S,6R,7R,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene14912-44-8[H][C@]12C3C(C)=CC[C@@]1([H])[C@]3(C)CC[C@H]2C(C)CInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14?,15-/m0/s1VLXDPFLIRFYIME-ZVQPBLDFSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsBranched unsaturated hydrocarbonsCyclic olefinsPolycyclic hydrocarbonsUnsaturated aliphatic hydrocarbonsAliphatic homopolycyclic compoundBranched unsaturated hydrocarbonCopaane sesquiterpenoidCyclic olefinHydrocarbonOlefinPolycyclic hydrocarbonSesquiterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonlogp3.75logs-5.05solubility1.81e-03 g/lmelting_point< 25 oClogp4.09iupac(1S,6R,7R,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-eneaverage_mass204.3511mono_mass204.187800768smiles[H][C@]12C3C(C)=CC[C@@]1([H])[C@]3(C)CC[C@H]2C(C)CformulaC15H24inchiInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14?,15-/m0/s1inchikeyVLXDPFLIRFYIME-ZVQPBLDFSA-Npolar_surface_area0refractivity65.77polarizability26.11rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs69822Specdb::MsMs69823Specdb::MsMs69824Specdb::MsMs128181Specdb::MsMs128182Specdb::MsMs128183Specdb::MsMs3597670Specdb::MsMs3597671Specdb::MsMs3597672Specdb::MsMs3597673Specdb::MsMs3597674Specdb::MsMs3597675CardamomType 1specificElettaria cardamomum105181Ceylon cinnamonType 1specificCinnamomum verum1286087.757.757.75mg/100 gClovesType 1specificSyzygium aromaticum219868CornType 1specificZea mays45771700.01700.01700.0mg/100 gGingerType 1specificZingiber officinale94328GrapeType 1specificVitis3603Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855710.10.10.1mg/100 gRosemaryType 1specificRosmarinus officinalis39367SpearmintType 1specificMentha spicata297194.254.254.25mg/100 gSweet bayType 1specificLaurus nobilis85223Sweet orangeType 1specificCitrus sinensis2711Winter savoryType 1specificSatureja montana4998813.5513.5513.55mg/100 gperfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.