1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:04 UTC FDB018364 2,3-Dehydrokievitol Isolated from Phaseolus lunatus (butter bean) induced with aq. CuCl2. 2,3-Dehydrokievitol is found in pulses and lima bean. 2,3-Dehydrokievitol 2',4',5,7-Tetrahydroxy-8-(4-hydroxy-3-methyl-2-butenyl)isoflavone C20H18O7 370.3527 370.10525293 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-4H-chromen-4-one 2,3-dehydrokievitol 104363-17-9 C\C(CO)=C/CC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1 InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+ UFCGXNZEVGKUQA-WTDSWWLTSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Organic oxides Oxacyclic compounds Primary alcohols Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Primary alcohol Pyran Pyranone Resorcinol Vinylogous acid Isoflavonoids logp 2.70 ALOGPS logs -4.15 ALOGPS solubility 2.62e-02 g/l ALOGPS logp 3.22 ChemAxon pka_strongest_acidic 6.41 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-4H-chromen-4-one ChemAxon average_mass 370.3527 ChemAxon mono_mass 370.10525293 ChemAxon smiles C\C(CO)=C/CC1=C2OC=C(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1 ChemAxon formula C20H18O7 ChemAxon inchi InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+ ChemAxon inchikey UFCGXNZEVGKUQA-WTDSWWLTSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 99.68 ChemAxon polarizability 37.85 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10051 Specdb::CMs 46133 Specdb::CMs 146643 Specdb::MsMs 67839 Specdb::MsMs 67840 Specdb::MsMs 67841 Specdb::MsMs 125736 Specdb::MsMs 125737 Specdb::MsMs 125738 Specdb::MsMs 2722881 Specdb::MsMs 2722882 Specdb::MsMs 2722883 Specdb::MsMs 2955222 Specdb::MsMs 2955223 Specdb::MsMs 2955224 HMDB38900 #<Reference:0x000055ce3320fe48> Lima bean Type 1 specific Phaseolus lunatus 3884 Pulses Unknown generic Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.