1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:06 UTC FDB015715 Tavulin Constituent of Tanacetum vulgare (tansy). Tavulin is found in herbs and spices. Tabulin Tatridin A Tavulin C15H20O4 264.3169 264.136159128 4,9-dihydroxy-6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one 4,9-dihydroxy-6,10-dimethyl-3-methylidene-3aH,4H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one 71030-09-6 C\C1=C/C(O)C2C(OC(=O)C2=C)\C=C(C)\C(O)CC1 InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+ YMNZWKHEJQGPIA-CDJQDVQCSA-N belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Germacranolides and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Enoate esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and 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 Enoate ester Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 0.98 ALOGPS logs -1.85 ALOGPS solubility 3.70e+00 g/l ALOGPS melting_point Mp 160-161° logp 1.4 ChemAxon pka_strongest_acidic 6.07 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,9-dihydroxy-6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles C\C1=C/C(O)C2C(OC(=O)C2=C)\C=C(C)\C(O)CC1 ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+ ChemAxon inchikey YMNZWKHEJQGPIA-CDJQDVQCSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 72.88 ChemAxon polarizability 27.67 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86172 Specdb::MsMs 86173 Specdb::MsMs 86174 Specdb::MsMs 148425 Specdb::MsMs 148426 Specdb::MsMs 148427 Specdb::MsMs 2449651 Specdb::MsMs 2449652 Specdb::MsMs 2449653 Specdb::MsMs 2485794 Specdb::MsMs 2485795 Specdb::MsMs 2485796 Specdb::CMs 20153 Specdb::CMs 45028 Specdb::CMs 135013 Specdb::CMs 142747 Specdb::NmrOneD 136890 Specdb::NmrOneD 136891 Specdb::NmrOneD 136892 Specdb::NmrOneD 136893 Specdb::NmrOneD 136894 Specdb::NmrOneD 136895 Specdb::NmrOneD 136896 Specdb::NmrOneD 136897 Specdb::NmrOneD 136898 Specdb::NmrOneD 136899 Specdb::NmrOneD 136900 Specdb::NmrOneD 136901 Specdb::NmrOneD 136902 Specdb::NmrOneD 136903 Specdb::NmrOneD 136904 Specdb::NmrOneD 136905 Specdb::NmrOneD 136906 Specdb::NmrOneD 136907 Specdb::NmrOneD 136908 Specdb::NmrOneD 136909 HMDB36773 #<Reference:0x000055ce32187e40> Herbs and Spices Unknown generic