1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:02 UTC FDB015686 Momilactone A Constituent of Oryza sativa (rice). Momilactone A is found in cereals and cereal products and rice. 3-Oxo-7,15-pimaradien-19,6-olide 3-oxo-9beta-pimara-7,15-dien-19,6beta-olide 6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione Momilacton a Momilactone A C20H26O3 314.4186 314.188194698 5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dione 5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dione 51415-07-7 CC12C3C(OC1=O)C=C1CC(C)(CCC1C3(C)CCC2=O)C=C InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3 MPHXYQVSOFGNEN-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Diterpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carboxylic acid esters Diterpenoids Gamma butyrolactones Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpene lactone Diterpenoid Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pimarane diterpenoid Tetrahydrofuran a small molecule logp 3.42 ALOGPS logs -5.07 ALOGPS solubility 2.66e-03 g/l ALOGPS melting_point Mp 235-236° dec. logp 3.91 ChemAxon pka_strongest_acidic 18.85 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-7-ene-11,13-dione ChemAxon average_mass 314.4186 ChemAxon mono_mass 314.188194698 ChemAxon smiles CC12C3C(OC1=O)C=C1CC(C)(CCC1C3(C)CCC2=O)C=C ChemAxon formula C20H26O3 ChemAxon inchi InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3 ChemAxon inchikey MPHXYQVSOFGNEN-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 88.97 ChemAxon polarizability 34.95 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10107 Specdb::CMs 147682 Specdb::MsMs 60816 Specdb::MsMs 60817 Specdb::MsMs 60818 Specdb::MsMs 117234 Specdb::MsMs 117235 Specdb::MsMs 117236 Specdb::MsMs 2668384 Specdb::MsMs 2668385 Specdb::MsMs 2668386 Specdb::MsMs 3013121 Specdb::MsMs 3013122 Specdb::MsMs 3013123 HMDB36748 49191 #<Reference:0x000055ce31920ae0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Rice Type 1 specific Oryza sativa 4530 0.4 0.4 0.4 mg/100 g