1.0 2010-04-08 22:10:09 UTC 2019-11-26 03:06:42 UTC FDB012398 Licoisoflavone A Constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is found in many foods, some of which are yellow wax bean, common bean, white lupine, and green bean. [2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one [2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one, 9ci 2',4',5,7-Tetrahydroxy-3'-(3,3-dimethylallyl)isoflavone 3'-Isopentenyl-2',4',5,7-tetrahydroxyisoflavone Licoisoflavone Licoisoflavone A Phaseoluteone C20H18O6 354.358 354.1103383 3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one licoisoflavone A 66056-19-7 CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 KCUZCRLRQVRBBV-UHFFFAOYSA-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 Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 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 Pyran Pyranone Resorcinol Vinylogous acid 7-hydroxyisoflavones Isoflavonoids Isoflavonoids isoflavones logp 3.29 ALOGPS logs -4.26 ALOGPS solubility 1.93e-02 g/l ALOGPS logp 4.5 ChemAxon pka_strongest_acidic 6.54 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 354.358 ChemAxon mono_mass 354.1103383 ChemAxon smiles CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O ChemAxon formula C20H18O6 ChemAxon inchi InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 ChemAxon inchikey KCUZCRLRQVRBBV-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 97.91 ChemAxon polarizability 36.83 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12492 Specdb::CMs 43724 Specdb::CMs 130586 Specdb::CMs 138320 Specdb::MsMs 8762 Specdb::MsMs 8763 Specdb::MsMs 8764 Specdb::MsMs 15434 Specdb::MsMs 15435 Specdb::MsMs 15436 Specdb::MsMs 2236666 Specdb::MsMs 2236694 Specdb::MsMs 2238852 Specdb::MsMs 2242861 Specdb::MsMs 2243004 Specdb::MsMs 2375087 Specdb::MsMs 2375088 Specdb::MsMs 2375089 Specdb::MsMs 2561070 Specdb::MsMs 2561071 Specdb::MsMs 2561072 HMDB34125 #<Reference:0x000055ce32203a18> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common bean Type 1 specific Phaseolus vulgaris 3885 Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Green bean Type 1 specific Phaseolus vulgaris 3885 Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Pulses Unknown generic Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Scarlet bean Type 1 specific Phaseolus coccineus 3886 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 White lupine Type 1 specific Lupinus albus 3870 Wild rice Type 1 specific Zizania 15949 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 Anti feedant 275 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.