1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:38 UTC FDB012359 Mammea B/BD Isolated from Mammea americana (mamey). Mammea B/BD is found in fruits. 5,7-Dihydroxy-7-(3-methyl-2-butenyl)-8-(2-methyl-2-oxopropyl)-3-propyl-2H-1-benzopyran-2-one 5,7-Dihydroxy-8-(2-methyl-1-oxopropyl)-7-prenyl-3-propylcoumarin C21H26O5 358.4281 358.178023942 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-4-propyl-2H-chromen-2-one 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-4-propylchromen-2-one 98216-05-8 CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)C(C)C InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3 FLFMHVIZGHIVEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. 7-hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Aryl alkyl ketones Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 7-hydroxycoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 3.98 ALOGPS logs -4.18 ALOGPS solubility 2.35e-02 g/l ALOGPS logp 5.54 ChemAxon pka_strongest_acidic 5.88 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-4-propyl-2H-chromen-2-one ChemAxon average_mass 358.4281 ChemAxon mono_mass 358.178023942 ChemAxon smiles CCCC1=CC(=O)OC2=C1C(O)=C(CC=C(C)C)C(O)=C2C(=O)C(C)C ChemAxon formula C21H26O5 ChemAxon inchi InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3 ChemAxon inchikey FLFMHVIZGHIVEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 102.84 ChemAxon polarizability 39.85 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12593 Specdb::CMs 43705 Specdb::CMs 146412 Specdb::MsMs 101295 Specdb::MsMs 101296 Specdb::MsMs 101297 Specdb::MsMs 166890 Specdb::MsMs 166891 Specdb::MsMs 166892 Specdb::MsMs 2422671 Specdb::MsMs 2422672 Specdb::MsMs 2422673 Specdb::MsMs 2512869 Specdb::MsMs 2512870 Specdb::MsMs 2512871 HMDB34096 #<Reference:0x000055ce32d0a150> Fruits Unknown generic