1.0 2010-04-08 22:05:29 UTC 2020-02-24 19:10:36 UTC FDB002716 Mammea A/BA Constituent of Mammea americana (mamey) seeds. Mammea A/BA is found in fruits and mammee apple. 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one, 9CI 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin 5,7-Dihydroxy-8-isovaleryl-6-(3-methyl-2-butenyl)-4-phenylcoumarin, 8CI C25H26O5 406.4709 406.178023942 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one mammea A/BA 5224-54-4 CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C2=C1OC(=O)C=C2C1=CC=CC=C1 InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3 SBHOAZQBEGVQLJ-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 7-hydroxycoumarins Aryl alkyl ketones Butyrophenones Heteroaromatic compounds Hydrocarbon derivatives Lactones Neoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 4-phenylcoumarin 7-hydroxycoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Coumarin Heteroaromatic compound Hydrocarbon derivative Hydroxycoumarin Ketone Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Prenylated neoflavonoid Pyran Pyranone Vinylogous acid Neoflavonoids neoflavonoid logp 4.81 ALOGPS logs -4.90 ALOGPS solubility 5.07e-03 g/l ALOGPS melting_point Mp 125-126° logp 5.98 ChemAxon pka_strongest_acidic 5.79 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one ChemAxon average_mass 406.4709 ChemAxon mono_mass 406.178023942 ChemAxon smiles CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C2=C1OC(=O)C=C2C1=CC=CC=C1 ChemAxon formula C25H26O5 ChemAxon inchi InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3 ChemAxon inchikey SBHOAZQBEGVQLJ-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 127.49 ChemAxon polarizability 44.72 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11651 Specdb::CMs 42155 Specdb::CMs 137924 Specdb::CMs 145658 Specdb::MsMs 7616 Specdb::MsMs 7617 Specdb::MsMs 7618 Specdb::MsMs 14288 Specdb::MsMs 14289 Specdb::MsMs 14290 Specdb::MsMs 3057991 Specdb::MsMs 3057992 Specdb::MsMs 3057993 Specdb::MsMs 3112772 Specdb::MsMs 3112773 Specdb::MsMs 3112774 HMDB30779 #<Reference:0x000055ce30662c28> Fruits Unknown generic Mammee apple Type 1 specific Mammea americana 198777