1.0 2010-04-08 22:06:53 UTC 2025-11-18 23:00:18 UTC FDB005879 Eremanthin Eremanthin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Eremanthin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Eremanthin can be found in sweet bay, which makes eremanthin a potential biomarker for the consumption of this food product. (-)-Eremanthin Eremanthin derivative Eremanthine Ermanthin Vanillosmin C15H18O2 230.3022 230.13067982 (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-2H,3H,3aH,4H,6aH,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-one eremanthin 37936-58-6 CC1=CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@H]1CCC2=C InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13-,14-/m0/s1 BWRZDLYJNURUHS-XUXIUFHCSA-N belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Guaianolides and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Enoate esters Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Gamma butyrolactone Guaiane sesquiterpenoid Guaianolide-skeleton Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran Guaianolide sesquiterpene lactone logp 3.43 ALOGPS logs -3.06 ALOGPS solubility 2.00e-01 g/l ALOGPS logp 3.02 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-2H,3H,3aH,4H,6aH,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-one ChemAxon average_mass 230.3022 ChemAxon mono_mass 230.13067982 ChemAxon smiles CC1=CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@H]1CCC2=C ChemAxon formula C15H18O2 ChemAxon inchi InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13-,14-/m0/s1 ChemAxon inchikey BWRZDLYJNURUHS-XUXIUFHCSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 67.04 ChemAxon polarizability 25.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74118 Specdb::MsMs 74119 Specdb::MsMs 74120 Specdb::MsMs 133422 Specdb::MsMs 133423 Specdb::MsMs 133424 Specdb::MsMs 3602222 Specdb::MsMs 3602223 Specdb::MsMs 3602224 Specdb::MsMs 3602225 Specdb::MsMs 3602226 Specdb::MsMs 3602227 Sweet bay Type 1 specific Laurus nobilis 85223 Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. 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. Protisticide 1266 Schistosomicide 1303