1.0 2010-04-08 22:10:03 UTC 2019-11-26 03:06:24 UTC FDB012215 Cyclokievitone Isolated from pods of Phaseolus vulgaris (kidney bean) and from other Phaseolus subspecies Cyclokievitone is found in many foods, some of which are green bean, common bean, pulses, and mung bean. 1'',2''-Dehydrocyclokievitone 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI C20H18O6 354.3533 354.110338308 3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-4-one cyclokievitone 74175-82-9 CC1(C)OC2=CC(O)=C3C(=O)C(COC3=C2C=C1)C1=CC=C(O)C=C1O InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3 AWLFGFDTGPLHKG-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 8-position. 8-prenylated isoflavanones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Organic oxides Oxacyclic compounds Pyranochromenes Pyranoisoflavonoids Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 8-prenylated isoflavanone Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavanol Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyranochromene Pyranoisoflavonoid Resorcinol Vinylogous acid Isoflavonoids Isoflavonoids isoflavanones isoflavanones logp 3.50 ALOGPS logs -4.14 ALOGPS solubility 2.57e-02 g/l ALOGPS logp 3.63 ChemAxon pka_strongest_acidic 8.67 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-4-one ChemAxon average_mass 354.3533 ChemAxon mono_mass 354.110338308 ChemAxon smiles CC1(C)OC2=CC(O)=C3C(=O)C(COC3=C2C=C1)C1=CC=C(O)C=C1O ChemAxon formula C20H18O6 ChemAxon inchi InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3 ChemAxon inchikey AWLFGFDTGPLHKG-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 96.07 ChemAxon polarizability 36.26 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23310 Specdb::CMs 43621 Specdb::CMs 137431 Specdb::CMs 145165 Specdb::MsMs 65304 Specdb::MsMs 65305 Specdb::MsMs 65306 Specdb::MsMs 122682 Specdb::MsMs 122683 Specdb::MsMs 122684 Specdb::MsMs 2427034 Specdb::MsMs 2427035 Specdb::MsMs 2427036 Specdb::MsMs 2512041 Specdb::MsMs 2512042 Specdb::MsMs 2512043 HMDB33983 #<Reference:0x000055ce317adfa0> Common bean Type 1 specific Phaseolus vulgaris 3885 Gram bean Type 1 specific Vigna mungo 3915 Green bean Type 1 specific Phaseolus vulgaris 3885 Lima bean Type 1 specific Phaseolus lunatus 3884 Mung bean Type 1 specific Vigna radiata 157791 Pulses Unknown generic Scarlet bean Type 1 specific Phaseolus coccineus 3886 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 Fungicide 940 A substance used to destroy fungal pests. 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.