1.0 2010-04-08 22:11:30 UTC 2019-11-26 03:10:50 UTC FDB014845 alpha-Damascone Detected as minor constituent of black tea leaves (nearly racemic mixture). alpha-Damascone is found in tea. (S)-(E)-(-)-alpha-damascone a-Damascone Yiyeliangwanoside II C13H20O 192.2973 192.151415262 (2Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one (2Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one 116497-11-1 C\C=C/C(=O)C1C(C)=CCCC1(C)C InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5- CRIGTVCBMUKRSL-ALCCZGGFSA-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 Liquid logp 3.96 ALOGPS logs -3.31 ALOGPS solubility 9.48e-02 g/l ALOGPS melting_point Mp 22-23° logp 3.83 ChemAxon pka_strongest_acidic 18.99 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (2Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one ChemAxon average_mass 192.2973 ChemAxon mono_mass 192.151415262 ChemAxon smiles C\C=C/C(=O)C1C(C)=CCCC1(C)C ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5- ChemAxon inchikey CRIGTVCBMUKRSL-ALCCZGGFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 62.14 ChemAxon polarizability 22.87 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7051 Specdb::MsIr 7052 Specdb::CMs 25581 Specdb::CMs 169501 Specdb::MsMs 322687 Specdb::MsMs 322688 Specdb::MsMs 322689 Specdb::MsMs 370651 Specdb::MsMs 370652 Specdb::MsMs 370653 Specdb::MsMs 2728030 Specdb::MsMs 2728031 Specdb::MsMs 2728032 Specdb::MsMs 2980508 Specdb::MsMs 2980509 Specdb::MsMs 2980510 HMDB36027 #<Reference:0x000055ce3064c018> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442