1.0 2010-04-08 22:10:25 UTC 2019-11-26 03:07:47 UTC FDB012884 Niveusin C Constituent of Helianthus annuus (sunflower). Niveusin C is found in sunflower and fats and oils. Annuithrin Niveusin C C20H26O7 378.4162 378.167853186 (1R,2Z,4S,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2Z)-2-methylbut-2-enoate (1R,2Z,4S,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2Z)-2-methylbut-2-enoate 75680-27-2 C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12 InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15-,16-,19+,20-/m0/s1 WGVJNQGTZSPMCY-GEYOPIBESA-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 Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Gamma butyrolactone Hemiacetal Hydrocarbon derivative Lactone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Terpene lactone Tetrahydrofuran logp 1.21 ALOGPS logs -2.40 ALOGPS solubility 1.52e+00 g/l ALOGPS melting_point Mp 125-126° logp 2.43 ChemAxon pka_strongest_acidic 6.21 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (1R,2Z,4S,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 378.4162 ChemAxon mono_mass 378.167853186 ChemAxon smiles C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12 ChemAxon formula C20H26O7 ChemAxon inchi InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15-,16-,19+,20-/m0/s1 ChemAxon inchikey WGVJNQGTZSPMCY-GEYOPIBESA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 96.59 ChemAxon polarizability 39.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24926 Specdb::CMs 43890 Specdb::CMs 153109 Specdb::MsMs 321217 Specdb::MsMs 321218 Specdb::MsMs 321219 Specdb::MsMs 368779 Specdb::MsMs 368780 Specdb::MsMs 368781 Specdb::MsMs 2418951 Specdb::MsMs 2418952 Specdb::MsMs 2418953 Specdb::MsMs 2544139 Specdb::MsMs 2544140 Specdb::MsMs 2544141 HMDB34474 #<Reference:0x000055ce32bb6ad8> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232 7.7 11.4 4.0 mg/100 g Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.