Isoquercetin

ScientificNameLabel

Isoquercetin
PHCD compound ID :	541
Chemical Names :	quercetin 3-O-glucoside , Quercetin-3-O-glucoside , Quercetin-3-O-triglucoside , isoquercitrin , Quercetin-3-D-glucoside , Isoquercetin , quercetin-3-O-glucose , quercetin-3-O-beta-D-glucopuranosid , Quercetin 3-O-glc
Molecular Formula :	C21H20O12
Molecular Weight :	464.095476

More Details :

Names & Synonyms:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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-(hydroxymethyl)-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-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-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-methylol-tetrahydropyran-2-yl]oxy-chromone
Smiles:	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
InChi Key :	InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-N
PubChem ID :	5280804

Rotatable bond count :	4	Rule of five :	2
Hydrogen bond acceptor count :	12	Ionization potential :	9.265195
Hydrogen bond donor count :	8	Electric dipole moment :	4.226
XLogP :	0.099	VDW volume :	384.937352
Molecular weight :	464.095476	HOMO-LUMO gap :	7.884000

Herb list :

- Crataegus curvisepala Lindman - زالزالک اروپایی

Almond - Prunus amygdalus - بادام

Cacao tree - Theobroma cacao - کاکائو

Caper - Capparis spinosa - کبر، لگجی، علف مار، کور

Celandine, Swallowwort - Chelidonium majus L - مامیران

Colt's foot, Horse hoof - Tussilago farfara - پای خر

Cotton thistle, Scotch thistle - Onopordon acanthium - خار پنبه، خار پیرزن

Evening primrose - Oenothera biennis - گل مغربی

Fig - Ficus carica - انجیر، شال انجیر

High mallow, Marsh mallow, Wild mallow - Malva sylvestris - پنیرک قرمز، پنیرک

Horse tail - Equisetum arvense - دم اسب

Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان

Sweet almond, Bitter almond - Amygdalus communis - بادام تلخ، بادام شیرین

Turnip - Brassica rapa - شلغم

Watercress - Nasturtium officinale - بولاغ اوتی، آب تره، علف چشمه، ترتیزک آبی

white mulberry - Morus alba - توت سفید، توت هراتی

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'
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.)'
175. Journal:'Zeb SpringerPlus' Year:'2015' Volume:'4' Page:'714' DOI:'10.1186/s40064-015-1514-5' Title:'Phenolic profile and antioxidant potential of wild watercress (Nasturtium officinale L.)'
192. Journal:'Herba Polonica' Year:'2013' Volume:'59' Page:'35' DOI:'10.2478/hepo-2013-0004' Title:'Phenolics in the Tussilago farfara leaves'
210. Journal:'THE PHARMA INNOVATION' Year:'2014' Volume:'3' Page:'46' DOI:'' Title:'Research phenolic compounds Malva sylvestris by high performance liquid chromatography'
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'
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'
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'
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)'
570. Journal:'Food Research International' Year:'2000' Volume:'33' Page:'423' DOI:'' Title:'Review on polyphenols in Theobroma cacao: changes in composition during the manufacture of chocolate and methodology for identification and quantification'
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'
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'
820. Journal:'Not Bot Horti Agrobo' Year:'2013' Volume:'41' Page:'414' DOI:'' Title:'Chemical Composition of Celandine (Chelidonium majus L.) Extract and its Efects on Botrytis tulipae (Lib.) Lind Fungus and the Tulip'
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'
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'
947. Journal:'Plants' Year:'2019' Volume:'8' Page:'40' DOI:'10.3390/plants8020040' Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
983. Journal:'Foods' Year:'2020' Volume:'9' Page:'436' DOI:'10.3390/foods9040436' Title:'Physicochemical Characterization, Antioxidant Activity, and Phenolic Compounds of Hawthorn (Crataegus spp.) Fruits Species for Potential Use in Food Applications'