1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:54 UTC FDB015593 Blumealactone A Constituent of Blumea balsamifera (sambong). Blumealactone A is found in tea. (-)-Blumealactone A Blumealactone A C20H28O6 364.4327 364.188588628 10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-2-yl (2E)-2-methylbut-2-enoate 10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-2-yl (2E)-2-methylbut-2-enoate 111545-46-1 C\C=C(/C)C(=O)OC1C2OC2(C)CCCC(C)C(O)C2OC(=O)C(=C)C12 InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+ ZMXFZZOCUKHAFO-UXBLZVDNSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Dialkyl ethers Dicarboxylic acids and derivatives Enoate esters Epoxides Fatty acid esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Gamma butyrolactone Germacrane sesquiterpenoid Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol Sesquiterpenoid Terpene lactone Tetrahydrofuran logp 2.70 ALOGPS logs -3.01 ALOGPS solubility 3.60e-01 g/l ALOGPS melting_point Mp 205-208° logp 3.35 ChemAxon pka_strongest_acidic 5.22 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 10-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-2-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 364.4327 ChemAxon mono_mass 364.188588628 ChemAxon smiles C\C=C(/C)C(=O)OC1C2OC2(C)CCCC(C)C(O)C2OC(=O)C(=C)C12 ChemAxon formula C20H28O6 ChemAxon inchi InChI=1S/C20H28O6/c1-6-10(2)18(22)25-16-13-12(4)19(23)24-15(13)14(21)11(3)8-7-9-20(5)17(16)26-20/h6,11,13-17,21H,4,7-9H2,1-3,5H3/b10-6+ ChemAxon inchikey ZMXFZZOCUKHAFO-UXBLZVDNSA-N ChemAxon polar_surface_area 85.36 ChemAxon refractivity 94.39 ChemAxon polarizability 39.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20750 Specdb::CMs 44963 Specdb::CMs 134560 Specdb::CMs 142294 Specdb::MsMs 101712 Specdb::MsMs 101713 Specdb::MsMs 101714 Specdb::MsMs 167379 Specdb::MsMs 167380 Specdb::MsMs 167381 Specdb::MsMs 2295618 Specdb::MsMs 2295619 Specdb::MsMs 2295620 Specdb::MsMs 2642721 Specdb::MsMs 2642722 Specdb::MsMs 2642723 HMDB36665 #<Reference:0x000055ce32407a80> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442