1.0 2010-04-08 22:11:49 UTC 2025-11-19 00:54:37 UTC FDB015384 Cumambrin B Cumambrin b 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. Cumambrin b is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cumambrin b can be found in sweet bay, which makes cumambrin b a potential biomarker for the consumption of this food product. 8-Hydroxycumambranolide Artenovin Cumambrin B C15H20O4 264.3169 264.136159128 4,6-dihydroxy-6,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-2-one 4,6-dihydroxy-6,9-dimethyl-3-methylidene-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-2-one 21982-83-2 CC1=CCC2C1C1OC(=O)C(=C)C1C(O)CC2(C)O InChI=1S/C15H20O4/c1-7-4-5-9-11(7)13-12(8(2)14(17)19-13)10(16)6-15(9,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3 NKXCPQWCIOWQOE-UHFFFAOYSA-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 Cyclic alcohols and derivatives Enoate esters Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol 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 Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 1.13 ALOGPS logs -1.45 ALOGPS solubility 9.36e+00 g/l ALOGPS melting_point Mp 178-180° logp 0.63 ChemAxon pka_strongest_acidic 14.38 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 4,6-dihydroxy-6,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-2-one ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC1=CCC2C1C1OC(=O)C(=C)C1C(O)CC2(C)O ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-7-4-5-9-11(7)13-12(8(2)14(17)19-13)10(16)6-15(9,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3 ChemAxon inchikey NKXCPQWCIOWQOE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 70.48 ChemAxon polarizability 27.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89163 Specdb::MsMs 89164 Specdb::MsMs 89165 Specdb::MsMs 152025 Specdb::MsMs 152026 Specdb::MsMs 152027 Specdb::CMs 91167 Sweet bay Type 1 specific Laurus nobilis 85223 Herbicide 986 A substance used to destroy plant pests. 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.