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ScientificNameLabel
Astragalin
PHCD compound ID : 543
Chemical Names :
kaempferol 3-O-glucoside , Kaempferol-3-O-glucoside , kaempferol-3-O-glycoside , Astragalin , Kaempferol 3-beta-D-glu-copyranoside , Kaempferol 3-O-glycoside , kaempferol-3-O-glucose , Kaempf-3-O-Glc
Molecular Formula : C21H20O11
Molecular Weight : 448.100561
More Details :
Names & Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
Smiles: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
InChi Key : InChIKey=JPUKWEQWGBDDQB-QSOFNFLRSA-N
PubChem ID : 5282102
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.431020
Hydrogen bond donor count : 7 Electric dipole moment : 5.696
XLogP : -0.249 VDW volume : 376.147125
Molecular weight : 448.100561 HOMO-LUMO gap : 8.111000
Herb list :
 
Almond - Prunus amygdalus - بادام
Cacao tree - Theobroma cacao - کاکائو
Caper - Capparis spinosa - کبر، لگجی، علف مار، کور
Chicory, Succory - Cichorium intybus - کاسنی
Colt's foot, Horse hoof - Tussilago farfara - پای خر
Evening primrose - Oenothera biennis - گل مغربی
Fig - Ficus carica - انجیر، شال انجیر
Horse tail - Equisetum arvense - دم اسب
Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان
Liverwort, Common polypody, Wall fern - Polypodium vulgare - بسفایج
Pomegranate - Punica granatum - گلنار، انار
Quince, Apple quince - Cydonia oblonga - به، شال به، به جنگلی
Sweet almond, Bitter almond - Amygdalus communis - بادام تلخ، بادام شیرین
Turnip - Brassica rapa - شلغم
white mulberry - Morus alba - توت سفید، توت هراتی
Refrences & Litretures:
  
33.      Journal:'J. Agric. Food Chem'      Year:'2014'      Volume:'62'      Page:'10076'      DOI:'10.1021/jf5025938'      Title:'Identi?cation of Phenylpropanoids in Fig (Ficus carica L.) Leaves'
107.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'166'      DOI:'10.1016/j.jfca.2009.08.015'      Title:'Characterization of polyphenols, lipids and dietary ?bre from almond skins (Amygdalus communis L.)'
173.      Journal:'Food and Chemical Toxicology'      Year:'2009'      Volume:'47'      Page:'1372'      DOI:'10.1016/j.fct.2009.03.017'      Title:'Protective effect of quince (Cydonia oblonga Miller) fruit against oxidative hemolysis of human erythrocytes'
192.      Journal:'Herba Polonica'      Year:'2013'      Volume:'59'      Page:'35'      DOI:'10.2478/hepo-2013-0004'      Title:'Phenolics in the Tussilago farfara leaves'
260.      Journal:'Agricultural Sciences'      Year:'2013'      Volume:'4'      Page:'141'      DOI:'10.4236/as.2013.45B026'      Title:'Chemical characterization and antioxidative properties of Polish variety of Morus alba L. leaf aqueous extracts from the laboratory and pilot-scale processes'
333.      Journal:'International Journal of Food Microbiology'      Year:'2012'      Volume:'153'      Page:'21'      DOI:'10.1016/j.ijfoodmicro.2011.10.010'      Title:'Effect of Equisetum arvense and Stevia rebaudiana extracts on growth and mycotoxin production by Aspergillus flavus and Fusarium verticillioides in maize seeds as affected by water activity'
334.      Journal:'Molecules'      Year:'2008'      Volume:'13'      Page:'1455'      DOI:'10.3390/molecules13071455'      Title:'Phenolic Compounds in Field Horsetail (Equisetum arvense L.) as Natural Antioxidants'
504.      Journal:'J Sci Food Agric'      Year:'2012'      Volume:'98'      Page:'1716'      DOI:'10.1002/jsfa.5537'      Title:'Chemical composition, antioxidant and antimicrobial properties of Rapa Catozza Napoletana (Brassica rapa L. var. rapa DC.) seed meal, a promising protein source of Campania region (southern Italy) horticultural germplasm'
506.      Journal:'J. Agric. Food Chem'      Year:'2008'      Volume:'56'      Page:'844'      DOI:'10.1021/jf072657a'      Title:'HPLC-DAD-MS/MS-ESI Screening of Phenolic Compounds in Pieris brassicae L. Reared on Brassica rapa var. rapa L'
511.      Journal:'Fitoterapia'      Year:'2011'      Volume:'82'      Page:'546'      DOI:'10.1016/j.?tote.2011.01.009'      Title:'Phytocomplexes from liquorice (Glycyrrhiza glabra L.) leaves — Chemical characterization and evaluation of their antioxidant, anti-genotoxic and anti-in?ammatory activity'
559.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2013'      Volume:''      Page:'579319'      DOI:'10.1155/2013/579319'      Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'
569.      Journal:'J. Mass Spectrom'      Year:'2003'      Volume:'38'      Page:'35'      DOI:'10.1002/jms.395'      Title:'Liquid chromatographic/electrospray ionization tandem mass spectrometric study of the phenolic composition of cocoa (Theobroma cacao)'
580.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'12453'      DOI:'10.1021/jf203096q'      Title:'Phenolic Composition and Antioxidant Activity of Aqueous Infusions from Capparis spinosa L. and Crithmum maritimum L. before and after Submission to a Two-Step in Vitro Digestion Model'
583.      Journal:'Food Chemistry'      Year:'2012'      Volume:'132'      Page:'261'      DOI:'10.1016/j.foodchem.2011.10.074'      Title:'The anticarcinogenic potential of essential oil and aqueous infusion from caper (Capparis spinosa L.)'
645.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'801'      DOI:'10.1021/jf304002h'      Title:'Chemical Composition, Antioxidative and Anti-In?ammatory Activity of Extracts Prepared from Aerial Parts of Oenothera biennis L. and Oenothera paradoxa Hudziok Obtained after Seeds Cultivation'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
885.      Journal:'Food Chemistry'      Year:'2010'      Volume:'120'      Page:'349'      DOI:'10.1016/j.foodchem.2009.09.063'      Title:'The importance of almond (Prunus amygdalus L.) and its by-products'
952.      Journal:'International Journal of Chemical and Biochemical Sciences'      Year:'2016'      Volume:'9'      Page:'111'      DOI:''      Title:'A review on phytopharmacological properties of Bisfaij'
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