1.02010-04-08 22:11:52 UTC2019-11-26 03:11:39 UTCFDB0154803,5,8-Megastigmatrien-7-oneFrom Rosa damascena and many other sources. 3,5,8-Megastigmatrien-7-one is found in many foods, some of which are herbs and spices, tea, common grape, and green vegetables.(2e)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one(e)-β-damascenone(e)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one(e)-b-Damascenone(e)-beta -Damascenone(e)-beta-Damascenone(e)-β-damascenoneβ-(e)-damascenoneβ-damascenone1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-oneb-(e)-Damascenoneb-Damascenonebeta -(e)-Damascenonebeta -Damascenonebeta-(e)-Damascenonebeta-DamascenoneDamascenoneDamascenone, trans-Trans-β-damascenonetrans-b-Damascenonetrans-beta -Damascenonetrans-beta-Damascenonetrans-Damascenonetrans-β-damascenoneβ-(e)-damascenoneC13H18O190.286190.1357652(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-onedamascenone23726-93-4C\C=C\C(=O)C1=C(C)C=CCC1(C)CInChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+POIARNZEYGURDG-FNORWQNLSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'.EnonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic homomonocyclic compoundsAcryloyl compoundsHydrocarbon derivativesKetonesOrganic oxidesAcryloyl-groupAliphatic homomonocyclic compoundEnoneHydrocarbon derivativeKetoneOrganic oxideC40 isoprenoids (tetraterpenes)apo carotenoid monoterpenoidcyclic monoterpene ketoneenonelogp4.02logs-3.00solubility1.91e-01 g/llogp3.68pka_strongest_basic-4.2iupac(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-oneaverage_mass190.286mono_mass190.1357652smilesC\C=C\C(=O)C1=C(C)C=CCC1(C)CformulaC13H18OinchiInChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+inchikeyPOIARNZEYGURDG-FNORWQNLSA-Npolar_surface_area17.07refractivity63.02polarizability22.61rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs2387Specdb::CMs136001Specdb::CMs137682Specdb::CMs143735Specdb::CMs145416Specdb::MsIr2954Specdb::MsIr2955Specdb::MsMs56811Specdb::MsMs56812Specdb::MsMs56813Specdb::MsMs112338Specdb::MsMs112339Specdb::MsMs112340Specdb::MsMs2261437Specdb::MsMs2261438Specdb::MsMs2261439Specdb::MsMs2822957Specdb::MsMs2822958Specdb::MsMs2822959HMDB36572#<Reference:0x00005556741127e8>AppleType 1specificMalus pumila283210Black teaType 1BlackberryType 1specificRubusCauliflowerType 1specificBrassica oleracea var. botrytis3715Cherry tomatoType 1specificSolanum lycopersicum var. cerasiforme195583Common grapeType 1specificVitis vinifera29760Evergreen blackberryType 1specificRubus laciniatusFigType 1specificFicus carica3494Garden tomatoType 1specificSolanum lycopersicum4081Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755German camomileType 1specificMatricaria recutita127986GrapeType 1specificVitis3603Grape wineType 2specificGreen teaType 1Green vegetablesUnknowngenericHerbal teaType 1Herbs and SpicesUnknowngenericLemon balmType 1specificMelissa officinalis39338LicheeType 1specificLitchi chinensis151069PineappleType 1specificAnanas comosus4615Red teaType 1Red wineType 21.9969953.990.00399mg/100 gRoman camomileType 1specificChamaemelum nobile99037Star fruitType 1specificAverrhoa carambola28974Sweet basilType 1specificOcimum basilicum39350TeaType 1specificCamellia sinensis4442appleapple.rosehoneyrosesmokysweettobaccoanti edemic248anti inflammatory370A substance that reduces or suppresses inflammation.anti spasmodic619Any substance introduced into a living organism with therapeutic or diagnostic purpose.