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Compound: 5546
Plants: 312
References: 992
Visitors: 17
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Heptanal
ScientificNameLabel
Heptanal
PHCD compound ID :
610
Chemical Names :
Heptanal , 1-heptanal
Molecular Formula :
C7H14O1
Molecular Weight :
114.104465
More Details :
Names & Synonyms:
heptanal , enanthaldehyde
Smiles:
CCCCCCC=O
InChi :
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChi Key :
InChIKey=FXHGMKSSBGDXIY-UHFFFAOYSA-N
PubChem ID :
8130
Rotatable bond count :
5
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
10.145438
Hydrogen bond donor count :
0
Electric dipole moment :
2.858
XLogP :
2.863
VDW volume :
135.782119
Molecular weight :
114.104465
HOMO-LUMO gap :
10.864000
Herb list :
- Eryngium campestre - زول، بوقناق
- Salvia macrosiphon Boiss - مریمگلی لولهای، تخم مرو
Alfalfa, Lucerne - Medicago sativa - یونجه
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Borage, Ox-tongue - Borago officinalis - گل گاو زبان
Cardamon - Elettaria cardamomum - هل
Cinnamon - Cinnamomum zeylanicum - دارچین
Coriander, Cellender - Coriandrum sativum - گشنیز
Cornelian cherry, Dogwood - Cornus mas - زغال اخته، ذغال اخته
Cow-parsnip - Heracleum persicum - گلپر
Cumin - Cuminum cyminum - زیره سبز
Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Fig - Ficus carica - انجیر، شال انجیر
Grape, Vine grape - Vitis vinifera - انگور
Hazel, Filbert - Corylus avellana - فندق
Horehound - Marrubium vulgare L - فراسیون
Mount atlas pistache - Pistacia atlantica - بنه، پسته کوهی
Nettle, Stinging nettle - Urtica dioica - گزنه دو پایه، گزنه
Opium poppy - Papaver somniferum - خشخاش، تریاک
Ornamental rhubarb, Chinese rhubarb - Rheum palmatum L - روبارب، ریواس چینی، ریوند
Small-leaved linden, Tillet tree - Tilia cordata - زیرفون، نمدار برگریز
Strawberry - Fragaria vesca - توت فرنگی
Sumac - Rhus coriaria - سماق
Tamarind, Indian date - Tamarindus indica - تمرهندی
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Turnip - Brassica rapa - شلغم
Wild olive, Russian olive, Oleaster - Elaeagnus angustifolia - سنجد
Yellow sweet clover, Yellow melilot - Melilotus officinalis - یونجه زرد، اکلیل الملک
Refrences & Litretures:
35. Journal:'Food Chemistry' Year:'2010' Volume:'123' Page:'548' DOI:'10.1016/j.foodchem.2010.04.064' Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
37. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'3393' DOI:'10.1021/jf9039759' Title:'Chemical Assessment and in Vitro Antioxidant Capacity of Ficus carica Latex'
38. Journal:'J. Agric. Food Chem' Year:'2009' Volume:'57' Page:'3818' DOI:'10.1021/jf803471n' Title:'Evolution of Volatile Compounds during the Development of Cabernet Sauvignon Grapes (Vitis vinifera L.)'
72. Journal:'Industrial Crops and Products' Year:'2006' Volume:'24' Page:'253' DOI:'10.1016/j.indcrop.2006.06.011' Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
164. Journal:'J Food Sci Technol' Year:'2015' Volume:'52' Page:'6784' DOI:'10.1007/s13197-015-1789-0' Title:'Chemical composition, antioxidant and antibacterial properties of Bene (Pistacia atlantica subsp. mutica) hull essential oil'
251. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'318' DOI:'10.1080/10412905.2004.9698731' Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
317. Journal:'J. Agric. Food Chem' Year:'2005' Volume:'53' Page:'8310' DOI:'10.1021/jf0580869' Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
326. Journal:'Z. Naturforsch. C' Year:'2002' Volume:'57' Page:'990' DOI:'' Title:'Chemical Composition of Volatile Oil from Cinnamomum zeylanicum Buds'
406. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'10410' DOI:'10.1021/jf102248j' Title:'Essential Oils, Phenolics, and Antioxidant Activities of Different Parts of Cumin (Cuminum cyminum L.)'
444. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'1993' Volume:'8' Page:'209' DOI:'10.1002/ffj.2730080408' Title:'The Essential Oil of Rhus coriaria L. Fruits'
498. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'313' DOI:'10.1080/0972060X.2010.10643826' Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
505. Journal:'Microchemical Journal' Year:'2009' Volume:'93' Page:'140' DOI:'10.1016/j.microc.2009.05.011' Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
552. Journal:'Radiation Physics and Chemistry' Year:'2009' Volume:'78' Page:'407' DOI:'10.1016/j.radphyschem.2009.03.008' Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
617. Journal:'Bull Environ Contam Toxicol' Year:'2012' Volume:'88' Page:'666' DOI:'10.1007/s00128-012-0535-9' Title:'Chemical Composition and In Vitro Cytotoxic, Genotoxic Effects of Essential Oil from Urtica dioica L'
621. Journal:'Acta Chim. Slov' Year:'2012' Volume:'59' Page:'803' DOI:'' Title:'Comparison of Different Extraction Methods for the Determination of Essential oils and Related Compounds from Coriander (Coriandrum sativum L.)'
624. Journal:'Food Chemistry 102 (2007) 1131' Year:'2007' Volume:'102' Page:'1131' DOI:'10.1016/j.foodchem.2006.06.046' Title:'Changes on essential oil composition of coriander (Coriandrum sativum L.) fruits during three stages of maturity'
633. Journal:'Journal of Biologically Active Products from Nature' Year:'2011' Volume:'1' Page:'19' DOI:'10.1080/22311866.2011.10719069' Title:'Chemical Composition and Antimicrobial Activity of Rosa damascena Mill Essential Oil'
634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
635. Journal:'Analytica Chimica Acta' Year:'2006' Volume:'566' Page:'172' DOI:'10.1016/j.aca.2006.03.014' Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
636. Journal:'Journal of Essential Oil Research' Year:'2013' Volume:'25' Page:'55' DOI:'10.1080/10412905.2012.751555' Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'
639. Journal:'LA RIVISTA ITALIANA DELLE SOSTANZE GRASSE' Year:'2010' Volume:'LXXXVII' Page:'218' DOI:'' Title:'Fatty acids and essential oil composition of borage (Borago officinalis L.) stalk leaves during their development'
647. Journal:'Iranian Journal of Pharmaceutical Research' Year:'2003' Volume:'2' Page:'245' DOI:'' Title:'Composition of the Essential Oil of the Root of Heracleum persicum from Iran'
715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
727. Journal:'J Sci Food Agric' Year:'2008' Volume:'88' Page:'280' DOI:'10.1002/jsfa' Title:'Antioxidant and antimicrobial activities of essential oil and various oleoresins of Elettaria cardamomum (seeds and pods)'
749. Journal:'J. Agric. food Chem' Year:'1983' Volume:'31' Page:'38' DOI:'10.1021/jf00115a010' Title:'Composition of the Essential Oil of Alfalfa'
773. Journal:'CHEMISTRY & BIODIVERSITY' Year:'2012' Volume:'9' Page:'359' DOI:'10.1002/cbdv.201100326' Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
852. Journal:'Flavour Fragr. J' Year:'2005' Volume:'20' Page:'542' DOI:'10.1002/ffj.1468' Title:'Composition of the essential oil of Salvia macrosiphon Boiss. from Iran'
874. Journal:'CHEMIJA' Year:'2007' Volume:'18' Page:'44' DOI:'' Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
888. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'1996' Volume:'11' Page:'57' DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K' Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
903. Journal:'Chemistry of Natural Compounds' Year:'2011' Volume:'47' Page:'646' DOI:'10.1007/s10600-011-0020-4' Title:'Constituent composition of essential oil from Cornus mas flowers'
905. Journal:'Natural Product Communications' Year:'2008' Volume:'3' Page:'1121' DOI:'10.1177/1934578X0800300716' Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
909. Journal:'Adv Pharm Bull' Year:'2016' Volume:'6' Page:'163' DOI:'10.15171/apb.2016.023' Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
917. Journal:'International Letters of Chemistry, Physics and Astronomy' Year:'2013' Volume:'13' Page:'210' DOI:'10.18052/www.scipress.com/ILCPA.13.210' Title:'Chemical composition of Marrubium vulgare L. essential oil from Algeria'
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