1.0 2010-04-08 22:13:43 UTC 2018-05-29 01:36:46 UTC FDB018457 Diacetylfusarochromanone Production by Fusarium equiseti 2,2-Dimethyl-5-amino-6-(3'-N-acetyl-4'-O-acetylbutyryl)-4-chromone Diacetylfusarochromanone C19H24N2O6 376.4037 376.16343651 4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl acetate 4-(5-amino-2,2-dimethyl-4-oxo-3H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl acetate 104653-91-0 CC(=O)NC(COC(C)=O)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N InChI=1S/C19H24N2O6/c1-10(22)21-12(9-26-11(2)23)7-14(24)13-5-6-16-17(18(13)20)15(25)8-19(3,4)27-16/h5-6,12H,7-9,20H2,1-4H3,(H,21,22) NJAMLUYVOHURJN-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 2,2-dimethyl-1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds Acetamides Alkyl aryl ethers Amino acids and derivatives Aryl alkyl ketones Butyrophenones Carboxylic acid esters Chromones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Primary amines Secondary carboxylic acid amides Vinylogous amides 2,2-dimethyl-1-benzopyran Acetamide Alkyl aryl ether Amine Amino acid or derivatives Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Butyrophenone Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Chromone Ether Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary amine Secondary carboxylic acid amide Vinylogous amide logp 1.16 ALOGPS logs -3.79 ALOGPS solubility 6.05e-02 g/l ALOGPS logp 0.98 ChemAxon pka_strongest_acidic 13.85 ChemAxon pka_strongest_basic 0.49 ChemAxon iupac 4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl acetate ChemAxon average_mass 376.4037 ChemAxon mono_mass 376.16343651 ChemAxon smiles CC(=O)NC(COC(C)=O)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N ChemAxon formula C19H24N2O6 ChemAxon inchi InChI=1S/C19H24N2O6/c1-10(22)21-12(9-26-11(2)23)7-14(24)13-5-6-16-17(18(13)20)15(25)8-19(3,4)27-16/h5-6,12H,7-9,20H2,1-4H3,(H,21,22) ChemAxon inchikey NJAMLUYVOHURJN-UHFFFAOYSA-N ChemAxon polar_surface_area 124.79 ChemAxon refractivity 97.84 ChemAxon polarizability 38.31 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14488 Specdb::CMs 160038 Specdb::MsMs 77256 Specdb::MsMs 77257 Specdb::MsMs 77258 Specdb::MsMs 137343 Specdb::MsMs 137344 Specdb::MsMs 137345 Specdb::MsMs 2811440 Specdb::MsMs 2811441 Specdb::MsMs 2811442 Specdb::MsMs 2894492 Specdb::MsMs 2894493 Specdb::MsMs 2894494 HMDB38971 #<Reference:0x000055ce31805f70>