1.0 2010-04-08 22:13:47 UTC 2019-11-26 03:16:20 UTC FDB018561 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one Isolated from Citrus hassaku juice oil. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus. 7-(6R-Hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one C19H22O4 314.3756 314.151809192 7-{[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}-2H-chromen-2-one 7-{[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}chromen-2-one 118584-19-3 C\C(CCC(O)C(C)=C)=C/COC1=CC2=C(C=CC(=O)O2)C=C1 InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+ OWAQHJLCKMIPKB-GXDHUFHOSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Fatty alcohols Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Fatty acyl Fatty alcohol Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol logp 3.46 ALOGPS logs -4.19 ALOGPS solubility 2.02e-02 g/l ALOGPS melting_point Mp 75° logp 3.47 ChemAxon pka_strongest_acidic 18.1 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 7-{[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}-2H-chromen-2-one ChemAxon average_mass 314.3756 ChemAxon mono_mass 314.151809192 ChemAxon smiles C\C(CCC(O)C(C)=C)=C/COC1=CC2=C(C=CC(=O)O2)C=C1 ChemAxon formula C19H22O4 ChemAxon inchi InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+ ChemAxon inchikey OWAQHJLCKMIPKB-GXDHUFHOSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 91.38 ChemAxon polarizability 35.16 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19820 Specdb::CMs 46240 Specdb::CMs 133109 Specdb::CMs 140843 Specdb::MsMs 63309 Specdb::MsMs 63310 Specdb::MsMs 63311 Specdb::MsMs 120243 Specdb::MsMs 120244 Specdb::MsMs 120245 Specdb::MsMs 2365780 Specdb::MsMs 2365781 Specdb::MsMs 2365782 Specdb::MsMs 2596894 Specdb::MsMs 2596895 Specdb::MsMs 2596896 HMDB39063 #<Reference:0x000055ce30528ad8> Citrus Unknown generic