1.0 2010-04-08 22:12:19 UTC 2019-11-26 03:12:57 UTC FDB016252 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one Isolated from Mammea americana (mamey) seeds. 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one is found in fruits. C24H24O6 408.4438 408.1572885 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-2H,8H,9H-furo[2,3-h]chromen-2-one 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8H,9H-furo[2,3-h]chromen-2-one CC(C)C(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O InChI=1S/C24H24O6/c1-12(2)20(26)19-21(27)18-14(13-8-6-5-7-9-13)11-17(25)30-22(18)15-10-16(24(3,4)28)29-23(15)19/h5-9,11-12,16,27-28H,10H2,1-4H3 KYQBNYMPQRSMLV-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 1-benzopyrans Alkyl aryl ethers Angular furanocoumarins Aryl alkyl ketones Benzene and substituted derivatives Coumarans Heteroaromatic compounds Hydrocarbon derivatives Lactones Neoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Tertiary alcohols Vinylogous acids 1-benzopyran 4-phenylcoumarin Alcohol Alkyl aryl ether Angular furanocoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Coumaran Coumarin Ether Furanocoumarin Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Prenylated neoflavonoid Pyran Pyranone Tertiary alcohol Vinylogous acid Neoflavonoids logp 3.74 ALOGPS logs -4.65 ALOGPS solubility 9.10e-03 g/l ALOGPS logp 4.31 ChemAxon pka_strongest_acidic 8.45 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-2H,8H,9H-furo[2,3-h]chromen-2-one ChemAxon average_mass 408.4438 ChemAxon mono_mass 408.1572885 ChemAxon smiles CC(C)C(=O)C1=C2OC(CC2=C2OC(=O)C=C(C3=CC=CC=C3)C2=C1O)C(C)(C)O ChemAxon formula C24H24O6 ChemAxon inchi InChI=1S/C24H24O6/c1-12(2)20(26)19-21(27)18-14(13-8-6-5-7-9-13)11-17(25)30-22(18)15-10-16(24(3,4)28)29-23(15)19/h5-9,11-12,16,27-28H,10H2,1-4H3 ChemAxon inchikey KYQBNYMPQRSMLV-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 121.48 ChemAxon polarizability 43.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12704 Specdb::CMs 45276 Specdb::CMs 169946 Specdb::MsMs 50448 Specdb::MsMs 50449 Specdb::MsMs 50450 Specdb::MsMs 162204 Specdb::MsMs 162205 Specdb::MsMs 162206 Specdb::MsMs 2282287 Specdb::MsMs 2282288 Specdb::MsMs 2282289 Specdb::MsMs 3086512 Specdb::MsMs 3086513 Specdb::MsMs 3086514 HMDB37241 #<Reference:0x000055ce32fbd640> Fruits Unknown generic