1.0 2010-04-08 22:14:24 UTC 2019-11-26 03:17:34 UTC FDB019516 Angeloylsenkyunolide F Constituent of Angelica acutiloba (Dong Dang Gui). Angeloylsenkyunolide F is found in green vegetables. Angeloylsenkyunolide F C17H20O4 288.3383 288.136159128 1-[(1E)-3-oxo-1,3,6,7-tetrahydro-2-benzofuran-1-ylidene]butan-2-yl (2E)-2-methylbut-2-enoate 1-[(1E)-3-oxo-6,7-dihydro-2-benzofuran-1-ylidene]butan-2-yl (2E)-2-methylbut-2-enoate 112899-64-6 CCC(OC(=O)C(\C)=C\C)\C=C1\OC(=O)C2=C1CCC=C2 InChI=1S/C17H20O4/c1-4-11(3)16(18)20-12(5-2)10-15-13-8-6-7-9-14(13)17(19)21-15/h4,7,9-10,12H,5-6,8H2,1-3H3/b11-4+,15-10+ JZZIVNUYKVAAGC-JZFHRPHZSA-N belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety. Isobenzofurans Organic compounds Organoheterocyclic compounds Isobenzofurans Aliphatic heteropolycyclic compounds Butenolides Carbonyl compounds Dicarboxylic acids and derivatives Enoate esters Enol esters Fatty acid esters Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Dihydrofuran Enoate ester Enol ester Fatty acid ester Fatty acyl Hydrocarbon derivative Isobenzofuran Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.89 ALOGPS logs -3.94 ALOGPS solubility 3.30e-02 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1-[(1E)-3-oxo-1,3,6,7-tetrahydro-2-benzofuran-1-ylidene]butan-2-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 288.3383 ChemAxon mono_mass 288.136159128 ChemAxon smiles CCC(OC(=O)C(\C)=C\C)\C=C1\OC(=O)C2=C1CCC=C2 ChemAxon formula C17H20O4 ChemAxon inchi InChI=1S/C17H20O4/c1-4-11(3)16(18)20-12(5-2)10-15-13-8-6-7-9-14(13)17(19)21-15/h4,7,9-10,12H,5-6,8H2,1-3H3/b11-4+,15-10+ ChemAxon inchikey JZZIVNUYKVAAGC-JZFHRPHZSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 83.39 ChemAxon polarizability 30.79 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11494 Specdb::CMs 173822 Specdb::MsMs 79587 Specdb::MsMs 79588 Specdb::MsMs 79589 Specdb::MsMs 140220 Specdb::MsMs 140221 Specdb::MsMs 140222 Specdb::MsMs 2425318 Specdb::MsMs 2425319 Specdb::MsMs 2425320 Specdb::MsMs 2510395 Specdb::MsMs 2510396 Specdb::MsMs 2510397 HMDB39858 #<Reference:0x000055ce3193be58> Green vegetables Unknown generic