1.0 2010-04-08 22:05:30 UTC 2020-02-24 19:10:36 UTC FDB002722 Mammeigin Constituent of Mammea americana (mamey). Mammeigin is found in fruits and mammee apple. 4-chloro-Quinoline 4-chloroquinoline 5-Hydroxy-6-isovaleryl-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b,3,4-b']dipyran-2-one, 8CI 5-Hydroxy-6'',6''-dimethyl-6-(3-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI Mammea A/A cyclo D Quinoline, 4-chloro- Quinoline, 4-chloro- (6CI,7CI,8CI,9CI) C25H24O5 404.4551 404.162373878 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one mammeigin 2289-11-4 CC(C)CC(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O InChI=1S/C25H24O5/c1-14(2)12-18(26)21-22(28)20-17(15-8-6-5-7-9-15)13-19(27)29-23(20)16-10-11-25(3,4)30-24(16)21/h5-11,13-14,28H,12H2,1-4H3 VSDJRZADBKXDHP-UHFFFAOYSA-N belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone. Prenylated neoflavonoids Organic compounds Phenylpropanoids and polyketides Neoflavonoids Prenylated neoflavonoids Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Angular pyranocoumarins Aryl alkyl ketones Butyrophenones Heteroaromatic compounds Hydrocarbon derivatives Lactones Neoflavones Organic oxides Oxacyclic compounds Pyranochromenes Pyranoneoflavonoids Pyranones and derivatives Vinylogous acids 1-benzopyran 2,2-dimethyl-1-benzopyran 4-phenylcoumarin Alkyl aryl ether Angular pyranocoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Prenylated neoflavonoid Pyran Pyranochromene Pyranocoumarin Pyranone Pyranoneoflavonoid Vinylogous acid Neoflavonoids logp 5.24 ALOGPS logs -5.08 ALOGPS solubility 3.40e-03 g/l ALOGPS melting_point Mp 144-145° logp 5.45 ChemAxon pka_strongest_acidic 8.38 ChemAxon pka_strongest_basic -5 ChemAxon iupac 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one ChemAxon average_mass 404.4551 ChemAxon mono_mass 404.162373878 ChemAxon smiles CC(C)CC(=O)C1=C2OC(C)(C)C=CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O ChemAxon formula C25H24O5 ChemAxon inchi InChI=1S/C25H24O5/c1-14(2)12-18(26)21-22(28)20-17(15-8-6-5-7-9-15)13-19(27)29-23(20)16-10-11-25(3,4)30-24(16)21/h5-11,13-14,28H,12H2,1-4H3 ChemAxon inchikey VSDJRZADBKXDHP-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 125.65 ChemAxon polarizability 43.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70863 Specdb::MsMs 70864 Specdb::MsMs 70865 Specdb::MsMs 129426 Specdb::MsMs 129427 Specdb::MsMs 129428 Specdb::MsMs 2333725 Specdb::MsMs 2333726 Specdb::MsMs 2333727 Specdb::MsMs 2632400 Specdb::MsMs 2632401 Specdb::MsMs 2632402 Specdb::CMs 26300 Specdb::CMs 42161 Specdb::CMs 174063 HMDB30785 #<Reference:0x000055ce32c2e330> Fruits Unknown generic Mammee apple Type 1 specific Mammea americana 198777