1.0 2010-04-08 22:09:51 UTC 2019-11-26 03:05:29 UTC FDB011823 Furomammea D Isolated from Mammea americana (mamey). Furomammea D is found in fruits. Furomammea D C22H28O7 404.4535 404.18350325 2-(2-hydroperoxypropan-2-yl)-4-hydroxy-5-(3-methylbutanoyl)-9-propyl-2H,3H,7H-furo[2,3-f]chromen-7-one 2-(2-hydroperoxypropan-2-yl)-4-hydroxy-5-(3-methylbutanoyl)-9-propyl-2H,3H-furo[2,3-f]chromen-7-one CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3CC(OC3=C12)C(C)(C)OO InChI=1S/C22H28O7/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)29-26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3 KTMGXZPJSXTUNM-UHFFFAOYSA-N belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Angular furanocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Alkyl hydroperoxides Aryl alkyl ketones Butyrophenones Coumarans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Peroxols Pyranones and derivatives Vinylogous acids 1-benzopyran Alkyl aryl ether Alkyl hydroperoxide Angular furanocoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Coumaran Ether Heteroaromatic compound Hydrocarbon derivative Hydroperoxide Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Peroxol Pyran Pyranone Vinylogous acid logp 3.83 ALOGPS logs -4.35 ALOGPS solubility 1.81e-02 g/l ALOGPS melting_point Mp 133° logp 4.71 ChemAxon pka_strongest_acidic 8.76 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(2-hydroperoxypropan-2-yl)-4-hydroxy-5-(3-methylbutanoyl)-9-propyl-2H,3H,7H-furo[2,3-f]chromen-7-one ChemAxon average_mass 404.4535 ChemAxon mono_mass 404.18350325 ChemAxon smiles CCCC1=CC(=O)OC2=C(C(=O)CC(C)C)C(O)=C3CC(OC3=C12)C(C)(C)OO ChemAxon formula C22H28O7 ChemAxon inchi InChI=1S/C22H28O7/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)29-26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3 ChemAxon inchikey KTMGXZPJSXTUNM-UHFFFAOYSA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 107.34 ChemAxon polarizability 42.89 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22439 Specdb::CMs 43456 Specdb::CMs 170687 Specdb::MsMs 94962 Specdb::MsMs 94963 Specdb::MsMs 94964 Specdb::MsMs 159117 Specdb::MsMs 159118 Specdb::MsMs 159119 Specdb::MsMs 2714032 Specdb::MsMs 2714033 Specdb::MsMs 2714034 Specdb::MsMs 2965269 Specdb::MsMs 2965270 Specdb::MsMs 2965271 HMDB33708 #<Reference:0x000055ce32d46bc8> Fruits Unknown generic