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ScientificNameLabel
Rutin
PHCD compound ID : 540
Chemical Names :
quercetin 3-O-rutinosid , Quercetin-3-O-rutinoside , Rutin , Quercetin 3-O-rutinoside , Quercetin rhamno-glucoside , Quercetin-3-rutinoside
Molecular Formula : C27H30O16
Molecular Weight : 610.153385
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChi Key : InChIKey=IKGXIBQEEMLURG-NVPNHPEKSA-N
PubChem ID : 5280805
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 8.806912
Hydrogen bond donor count : 10 Electric dipole moment : 10.157
XLogP : -0.735 VDW volume : 511.517708
Molecular weight : 610.153385 HOMO-LUMO gap : 7.996000
Herb list :
 
- Crataegus curvisepala Lindman - زالزالک اروپایی
Anis estrellado, Star anise - Illicium verum - انیسون ستاره‌ای، بادیان خَتایی
Artichoke - Cynara scolymus - کنگر فرنگی، آرتیشو
Berberry - Berberis vulgaris - زرشک
Cacao tree - Theobroma cacao - کاکائو
Camel thorn - Alhagi pseudalhagi - خارشتر، شبه خارشتر
Caper - Capparis spinosa - کبر، لگجی، علف مار، کور
Caper berry, Kureel tree - Capparis decidua - کلیر
Colt's foot, Horse hoof - Tussilago farfara - پای خر
Egyptian willow - Salix aegyptiaca - بيدمشك
Fig - Ficus carica - انجیر، شال انجیر
Great plantain, Waybread - Plantago major - بارهنگ كبير، بارهنگ
Hatchet vetch, ax-weed - Securigera securidaca (L.) Degen & Dorfl - نیام ساتوری، ماشک ساتوری، گنده تلخه
Henbane - Hyoscyamus niger - بذرالبنج، بنگ دانه
High mallow, Marsh mallow, Wild mallow - Malva sylvestris - پنیرک قرمز، پنیرک
Jujube - Ziziphus jujuba - عناب
Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان
Liverwort, Common polypody, Wall fern - Polypodium vulgare - بسفایج
Mountain tobacco - Arnica montana - تنباکوی کوهی
Natural henna, Nubk tree, Christ's thorn - Ziziphus spina-christi - سدر، کنار
Pistacio - Pistacia vera - پسته
Pomegranate - Punica granatum - گلنار، انار
Quince, Apple quince - Cydonia oblonga - به، شال به، به جنگلی
Royal mulberry, Black mulberry - Morus nigra - شاه توت، شاتوت
Sumac - Rhus coriaria - سماق
Sweet almond, Bitter almond - Amygdalus communis - بادام تلخ، بادام شیرین
Tarragon, Wild dragon - Artemisia dracunculus - ترخون
white mulberry - Morus alba - توت سفید، توت هراتی
White water lily - Ipomea purpura - نیلوفر آبی سفید، لاله مردابی سید
Will fumitory - Fumaria officinalis - شاه تره
Wood-sorrel oxalis, Cuckoo's clover - Oxalis acetosella - شبدر ترشک جنگلی
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'
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185.      Journal:'Nutrition and Cancer'      Year:'2013'      Volume:'65'      Page:'1045'      DOI:'10.1080/01635581.2013.850966'      Title:'Anticarcinogenic Effects of the Ethanolic Extract of Salix aegyptiaca in Colon Cancer Cells: Involvement of Akt/PKB and MAPK Pathways'
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200.      Journal:'Biochimie'      Year:'2010'      Volume:'92'      Page:'1115'      DOI:'10.1016/j.biochi.2010.03.027'      Title:'Antioxidant activity and phenolic pro?le of pistachio (Pistacia vera L., variety Bronte) seeds and skins'
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239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
253.      Journal:'Chemistry Central Journal'      Year:'2012'      Volume:'6'      Page:'97'      DOI:''      Title:'Evaluation of antioxidant and cytoprotective activities of Arnica montana L. and Artemisia absinthium L. ethanolic extracts'
256.      Journal:'Int. J. Agric. Biol'      Year:'2013'      Volume:'15'      Page:'612'      DOI:''      Title:'White Mulberry (Morus alba): A Brief Phytochemical and Pharmacological Evaluations Account'
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243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
294.      Journal:'International Journal of Herbal Medicine'      Year:'2014'      Volume:'2'      Page:'47'      DOI:''      Title:'Alhagi pseudalhagi: a review of its phyto-chemistry, pharmacology, folklore claims and Ayurvedic studies'
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475.      Journal:'Int. J. Curr. Microbiol. App. Sci'      Year:'2014'      Volume:'3'      Page:'296'      DOI:''      Title:'Antioxidant activities and phenolic compounds in Bulgarian Fumaria species'
480.      Journal:'Scientia Horticulturae'      Year:'2011'      Volume:'132'      Page:'37'      DOI:'10.1016/j.scienta.2011.09.035'      Title:'Determination of fruit chemical properties of Morus nigra L., Morus alba L. and Morus rubra L. by HPLC'
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'
531.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'3351'      DOI:'10.1021/jf4007032'      Title:'The Jujube (Ziziphus Jujuba Mill.) Fruit: A Review of Current Knowledge of Fruit Composition and Health Bene?ts'
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535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
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)'
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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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.)'
607.      Journal:'Chemistry of Natural Compounds'      Year:'2007'      Volume:'43'      Page:'239'      DOI:''      Title:'CHEMICAL COMPOSITION OF Cynara scolymus LEAVES'
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'
818.      Journal:'International Journal of Phytomedicine'      Year:'2010'      Volume:'2'      Page:'10'      DOI:'10.5138/ijpm.2010.0975.0185.02002'      Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'
858.      Journal:'Indo Am. J. P. Sci'      Year:'2019'      Volume:'6'      Page:'4138'      DOI:''      Title:'CHEMICAL COMPOSITION OF ILLICIUM VERUM (STAR ANISE) FRUIT'
876.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'351'      DOI:'10.1016/j.foodchem.2010.04.042'      Title:'Antioxidants in spring leaves of Oxalis acetosella L'
942.      Journal:'Molecules'      Year:'2018'      Volume:'23'      Page:'1247'      DOI:'10.3390/molecules23061247'      Title:'Exploring New Antioxidant and Mineral Compounds from Nymphaea alba Wild-Grown in Danube Delta Biosphere'
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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