1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:05 UTC FDB015713 Laurenobiolide Constituent of Laurus nobilis (bay laurel). Laurenobiolide is found in sweet bay and herbs and spices. Isotulipinolide Laurenobiolide C17H22O4 290.3542 290.151809192 6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate 6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate 35001-25-3 CC(=O)OC1\C=C(C)/CC\C=C(C)/CC2OC(=O)C(=C)C12 InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7- ORJVLIMAQARNOU-ACBQZUGDSA-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 Dicarboxylic acids and derivatives Enoate esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 3.31 ALOGPS logs -3.54 ALOGPS solubility 8.33e-02 g/l ALOGPS melting_point Mp 101-103° logp 2.91 ChemAxon pka_strongest_acidic 6.21 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate ChemAxon average_mass 290.3542 ChemAxon mono_mass 290.151809192 ChemAxon smiles CC(=O)OC1\C=C(C)/CC\C=C(C)/CC2OC(=O)C(=C)C12 ChemAxon formula C17H22O4 ChemAxon inchi InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8-,11-7- ChemAxon inchikey ORJVLIMAQARNOU-ACBQZUGDSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 80.67 ChemAxon polarizability 30.89 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10082 Specdb::CMs 152332 Specdb::MsMs 57243 Specdb::MsMs 57244 Specdb::MsMs 57245 Specdb::MsMs 112863 Specdb::MsMs 112864 Specdb::MsMs 112865 Specdb::MsMs 2300412 Specdb::MsMs 2300413 Specdb::MsMs 2300414 Specdb::MsMs 2639008 Specdb::MsMs 2639009 Specdb::MsMs 2639010 HMDB36771 6390 #<Reference:0x000055ce32d662c0> Herbs and Spices Unknown generic 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.