1.0 2010-04-08 22:13:25 UTC 2018-05-29 01:34:11 UTC FDB017953 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone Production by Fusarium equiseti 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone C35H52N2O6 596.7972 596.382537406 4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl (10E,12E)-octadeca-10,12-dienoate 4-(5-amino-2,2-dimethyl-4-oxo-3H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl (10E,12E)-octadeca-10,12-dienoate 136536-84-0 CCCCC\C=C\C=C\CCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O InChI=1S/C35H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h9-12,21-22,27H,5-8,13-20,23-25,36H2,1-4H3,(H,37,38)/b10-9+,12-11+ MCIFNOLGPRTLRK-HULFFUFUSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Acetamides Alkyl aryl ethers Amino acids and derivatives Aryl alkyl ketones Butyrophenones Carboxylic acid esters Chromones Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Primary amines Secondary carboxylic acid amides Vinylogous amides 1-benzopyran 2,2-dimethyl-1-benzopyran Acetamide Alkyl aryl ether Amine Amino acid or derivatives Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Ether Fatty acid ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Octadecanoid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary amine Secondary carboxylic acid amide Vinylogous amide logp 6.84 ALOGPS logs -6.76 ALOGPS solubility 1.05e-04 g/l ALOGPS logp 7.63 ChemAxon pka_strongest_acidic 13.97 ChemAxon pka_strongest_basic 0.47 ChemAxon iupac 4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl (10E,12E)-octadeca-10,12-dienoate ChemAxon average_mass 596.7972 ChemAxon mono_mass 596.382537406 ChemAxon smiles CCCCC\C=C\C=C\CCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O ChemAxon formula C35H52N2O6 ChemAxon inchi InChI=1S/C35H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h9-12,21-22,27H,5-8,13-20,23-25,36H2,1-4H3,(H,37,38)/b10-9+,12-11+ ChemAxon inchikey MCIFNOLGPRTLRK-HULFFUFUSA-N ChemAxon polar_surface_area 124.79 ChemAxon refractivity 173.72 ChemAxon polarizability 72.39 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20108 Specdb::MsMs 58911 Specdb::MsMs 58912 Specdb::MsMs 58913 Specdb::MsMs 114939 Specdb::MsMs 114940 Specdb::MsMs 114941 Specdb::MsMs 2371804 Specdb::MsMs 2371805 Specdb::MsMs 2371806 Specdb::MsMs 2563038 Specdb::MsMs 2563039 Specdb::MsMs 2563040 HMDB38566 #<Reference:0x000055ce3202c640>