1.0 2010-04-08 22:11:52 UTC 2019-11-26 03:11:39 UTC FDB015480 3,5,8-Megastigmatrien-7-one From 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)-&beta;-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-damascenone &beta;-(e)-damascenone &beta;-damascenone 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one b-(e)-Damascenone b-Damascenone beta -(e)-Damascenone beta -Damascenone beta-(e)-Damascenone beta-Damascenone Damascenone Damascenone, trans- Trans-&beta;-damascenone trans-b-Damascenone trans-beta -Damascenone trans-beta-Damascenone trans-Damascenone trans-β-damascenone β-(e)-damascenone C13H18O 190.286 190.1357652 (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one damascenone 23726-93-4 C\C=C\C(=O)C1=C(C)C=CCC1(C)C InChI=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'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Enone Hydrocarbon derivative Ketone Organic oxide C40 isoprenoids (tetraterpenes) apo carotenoid monoterpenoid cyclic monoterpene ketone enone logp 4.02 ALOGPS logs -3.00 ALOGPS solubility 1.91e-01 g/l ALOGPS logp 3.68 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one ChemAxon average_mass 190.286 ChemAxon mono_mass 190.1357652 ChemAxon smiles C\C=C\C(=O)C1=C(C)C=CCC1(C)C ChemAxon formula C13H18O ChemAxon inchi InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ ChemAxon inchikey POIARNZEYGURDG-FNORWQNLSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 63.02 ChemAxon polarizability 22.61 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2387 Specdb::CMs 136001 Specdb::CMs 137682 Specdb::CMs 143735 Specdb::CMs 145416 Specdb::MsIr 2954 Specdb::MsIr 2955 Specdb::MsMs 56811 Specdb::MsMs 56812 Specdb::MsMs 56813 Specdb::MsMs 112338 Specdb::MsMs 112339 Specdb::MsMs 112340 Specdb::MsMs 2261437 Specdb::MsMs 2261438 Specdb::MsMs 2261439 Specdb::MsMs 2822957 Specdb::MsMs 2822958 Specdb::MsMs 2822959 HMDB36572 #<Reference:0x000055ce31a29658> Apple Type 1 specific Malus pumila 283210 Black tea Type 1 Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Common grape Type 1 specific Vitis vinifera 29760 Evergreen blackberry Type 1 specific Rubus laciniatus Fig Type 1 specific Ficus carica 3494 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 German camomile Type 1 specific Matricaria recutita 127986 Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Lemon balm Type 1 specific Melissa officinalis 39338 Lichee Type 1 specific Litchi chinensis 151069 Pineapple Type 1 specific Ananas comosus 4615 Red tea Type 1 Red wine Type 2 1.996995 3.99 0.00399 mg/100 g Roman camomile Type 1 specific Chamaemelum nobile 99037 Star fruit Type 1 specific Averrhoa carambola 28974 Sweet basil Type 1 specific Ocimum basilicum 39350 Tea Type 1 specific Camellia sinensis 4442 apple apple.rose honey rose smoky sweet tobacco Anti-edemic 248 Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose.