1.0 2010-04-08 22:13:03 UTC 2025-11-19 01:53:54 UTC FDB017385 Umbellifolide Constituent of Artemisia umbelliformis (alpine wormwood). Umbellifolide is found in tea and herbs and spices. (+)-Umbellifolide [3aR-(3aalpha,6alpha,7aalpha)]-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione 4,5-Dioxo-4,5-seco-11(13)-eudesmen-12,8b-olide Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5-(3H,4H)-benzofurandione, 9CI C15H20O4 264.3169 264.136159128 6-methyl-3-methylidene-6-(4-oxopentyl)-octahydro-1-benzofuran-2,5-dione 6-methyl-3-methylidene-6-(4-oxopentyl)-tetrahydro-1-benzofuran-2,5-dione 89026-40-4 CC(=O)CCCC1(C)CC2OC(=O)C(=C)C2CC1=O InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3 MIRSLSRVCIOISZ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aliphatic heteropolycyclic compounds Cyclic ketones Enoate esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Benzofuran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Enoate ester Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 1.38 ALOGPS logs -2.89 ALOGPS solubility 3.40e-01 g/l ALOGPS melting_point Mp 113° logp 2.38 ChemAxon pka_strongest_acidic 17.32 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 6-methyl-3-methylidene-6-(4-oxopentyl)-octahydro-1-benzofuran-2,5-dione ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC(=O)CCCC1(C)CC2OC(=O)C(=C)C2CC1=O ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3 ChemAxon inchikey MIRSLSRVCIOISZ-UHFFFAOYSA-N ChemAxon polar_surface_area 60.44 ChemAxon refractivity 69.64 ChemAxon polarizability 28.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12410 Specdb::CMs 132699 Specdb::CMs 140433 Specdb::MsMs 100674 Specdb::MsMs 100675 Specdb::MsMs 100676 Specdb::MsMs 166080 Specdb::MsMs 166081 Specdb::MsMs 166082 Specdb::MsMs 2694228 Specdb::MsMs 2694229 Specdb::MsMs 2694230 Specdb::MsMs 2987190 Specdb::MsMs 2987191 Specdb::MsMs 2987192 HMDB38156 #<Reference:0x000055ce302bcbf0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442