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a-Thujene
PHCD compound ID : 1
Chemical Names :
Alpha-Thujene , Alpha-tujene , Alpha thujene , Alpha–Thujene , a-Thujene , Alpha- Thujene , Thujene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: (5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-ene , (5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene , (5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-3-ene
Smiles: CC1=CC[C@]2([C@@H]1C2)C(C)C
InChi : InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1
InChi Key : InChIKey=KQAZVFVOEIRWHN-NXEZZACHSA-N
PubChem ID : 12444322
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.118240
Hydrogen bond donor count : 0 Electric dipole moment : 0.277
XLogP : 4.177 VDW volume : 154.166929
Molecular weight : 136.125201 HOMO-LUMO gap : 10.304000
Herb list :
 
- Boswellia papyrifera (Del.) Hochst - کندر
- Bunium persicum (Boiss.) B. Fedtsch - زیره کرمانی، زیره ایرانی
- Echinophora sibthorpiana - خوشاویزه، خوشاریزه
- Eryngium billardieri - زول، بوقناق
- Eryngium campestre - زول، بوقناق
- Kelussia odoratissima - کلوس
- Nepeta racemosa - گل مورو، پونه‌سای البرزی، پونه‌سای خوشه‌ای
- Salvia macrosiphon Boiss - مریم‌گلی لوله‌ای، تخم مرو
- Satureja khuzestanica - مرزه خوزستانی
- Thymus daenensis - آویشن دنائی
Abraham's blam, Chaste tree - Vitex pseudo-negundo - پنج انگشت، بنگرو، بنگله، درخت پاکدامنی
Absinthium, Wormwood - Artemisia absinthium - افسنطین
Balanga, Bragon's head - Lallemantia iberica - بالنگوی شهری
Basil, Sweet basil - Ocimum basilicum - ریحان، تخم شربتی
Bay - Laurus nobilis - برگ بو
Betony - Stachys lavandulifolia Vahl - چای کوهی، سنبله ای زیبا
Bishop's weed, Bullwort - Trachyspermum copticum - زنیان، بادیان رومی، نانخواه
Bitter orange, Seville orange - Citrus aurantium - نارنج
Black cumin, Nutmeg flower, Fennel-flower, Roman coriander - Nigella sativa - سیاه دانه، شونیز
Black pepper - Piper nigrum - فلفل سیاه
Blue gum - Eucalyptus globulus - اکالیپتوس
Borage, Ox-tongue - Borago officinalis - گل گاو زبان
Calamus - Acorus calamus - اگیر ترکی، اکیر ترکی
Camphre - Cinnamomum camphora - کافور
Cardamon - Elettaria cardamomum - هل
Carrot - Daucus carota - هویج
Catnip, Catmint - Nepeta cataria - نعناع گربه‌ای، پونه‌سای گربه‌ای
Caucasian whortlebery - Vaccinium arctostaphylos - قره قاط، سیله گیله
Chaste tree , Vitex - Vitex agnus-castus - پنج انگشت، فلفل بری
Cinnamon - Cinnamomum zeylanicum - دارچین
Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ
Clary, Clary sage - Salvia sclarea - مریم گلی
Coriander, Cellender - Coriandrum sativum - گشنیز
Cow-parsnip - Heracleum persicum - گلپر
Crab's eye - Abrus precatorius - چشم خروس، آبروس، چشم خرچنگی
Cubeb pepper, Cubeb - Piper cubeba - کبابه، کبابه چینی
Cumin - Cuminum cyminum - زیره سبز
Dill - Anethum graveolens - شوید، شبت
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Erio yarrow - Achillea eriophora - بومادران
Eucalyptus, River red gum - Eucalyptus camaldulensis - اكاليپتوس
European verbena, Vervain - Verbena officinalis L - شاه پسند
Fennel - Foeniculum vulgare - رازیانه
Fever few - Tanacetum parthenium - بابونه گاوی، مخلصه
Fig - Ficus carica - انجیر، شال انجیر
Forest pepper - Toddalia asiatica Lam - دهن باز دهن بسته
Galbanum - Ferula gummosa - باريجه، قاسنی
Great mullein, Flannel mullein - Verbascum thapsus - گل ماهور اروپائی
Hemp - Cannabis sativa - شاهدانه
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Hyssop - Hyssopus angustifolius - زوفا
Jerusalem oak - Chenopodium botrys - درمنه ترکی، سلمک اورشلیمی
Juniper - Juniperus communis L - پیرو، اربس
Kotschyam thyme - Thymus kotschyanus - آويشن
Kundur luban, Salai - Boswellia serrata - لیبان، کندر
Lavender - Lavandula angustifolia - اسطوخودوس
Lemon verbena, Lippia - Lippia citriodora - به ليمو
Lentisk pistache, Mastic tree - Pistacia lentiscus - مصطکی
Lesser galangal - Alpinia officinarum - خولنجان
Lime - Citrus aurantifolia - لیمو عمانی، لیمو ترش
Lovage - Levisticum officinale - انجدان
Madder - Rubia tinctorum - روناس
Marigold, Calendula - Calendula officinalis - همیشه بهار
Mount atlas pistache - Pistacia atlantica - بنه، پسته کوهی
Mountain tobacco - Arnica montana - تنباکوی کوهی
Mugwort, Mugwood - Artemisia vulgaris - برنجاسف، درمنه معمولی
Myrtle - Myrtus communis - مورد
Nerium, Oleander - Nerium oleander - خرزهره
Nutmeg - Myristica fragrans - جوز بویا
Origanum, Marjoram - Origanum vulgare - مرزنجوش، مرزنگوش
Penny royal, Flea mint - Mentha pulegium - پونه معطر، خال واش، کوت کوتی
Peppermint - Mentha piperita - نعنا فلفلی، نعنا
Perovskia - Perovskia abrotanoides - برازمبل
Pistacio - Pistacia vera - پسته
Poleygermander - Teucrium polium - کلپوره، مریم نخودی
Rosemary, Moorwort - Rosmarinus officinalis - رومارن، رزماری، رمارن
Saatar, Zataria - Zataria multiflora - آویشن شیرازی، ازکند
Sabine, Savin - Juniperus sabina - ابهل، مای مرز
Safflower, False saffron - Carthamus tinctorius - گلرنگ، کاجیره، کافشه
Sage, Garden sage - Salvia officinalis - مریم گلی باغی، مریم گلی دارویی
Savory - Satureja hortensis - مرزه
Spear mint - Mentha spicata - نعنا دشتی، پونه سنبله ای، نعناع
St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز
Staechus - Nepeta menthoides - پونه سا، پونه سای سبلانی
Sweet wormwood - Artemisia annua - گندواش، درمنه خزری، درمنه یکساله
Tarragon, Wild dragon - Artemisia dracunculus - ترخون
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Tobacco - Nicotina tabacum - تنباکو
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Turpentine tree - Pistacia terebinthus - پسته کوهی
Valerian - Valeriana officinalis - سنبل الطیب، والرین، سنبل الطیب اروپایی
Violet - Viola odorata - بنفشه معطر، بنفشه
Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی
Willd caraway - Bunium persicum - زیره سیاه
Wormwood - Artemisia sieberi - درمنه
Yarrow - Achillea millefolium - بومادران
Ziziphora - Ziziphora tenuior - کاکوتی
Refrences & Litretures:
  
1.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'25'      DOI:'10.1080/0972060X.2010.10643787'      Title:'Chemical and Antimicrobial Studies of Juniperus Sabina L. and Juniperus foetidissima Willd. Essential Oils'
5.      Journal:'Journal of Ethnopharmacology'      Year:'2003'      Volume:'89'      Page:'67'      DOI:'10.1016/S0378-8741(03)00234-4'      Title:'Anti-in?ammatory and analgesic properties of the leaf extracts and essential oil of Lavandula angustifolia Mill'
7.      Journal:'Int. J. Agric. Biol'      Year:'2013'      Volume:'15'      Page:'772'      DOI:''      Title:'Chemical composition and antimicrobial activity of essential oils of lavender (Lavandula angustifolia) and lavandin (Lavandula x intermedia) grown in Western Romania'
11.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'555'      Page:'157'      DOI:'10.1016/j.aca.2005.08.071'      Title:'Microwave accelerated steam distillation of essential oil from lavender: A rapid, clean and environmentally friendly approach'
12.      Journal:'Journal of Chromatography A'      Year:'2001'      Volume:'917'      Page:'245'      DOI:''      Title:'On-site ?eld sampling and analysis of fragrance from living Lavender (Lavandula angustifolia L.) ?owers by solid-phase microextraction coupled to gas chromatography and ion-trap mass spectrometry'
13.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'283'      DOI:''      Title:'Antibacterial Activity and Composition of the Essential Oil of Nepeta menthoides from Iran'
17.      Journal:'Pharm Biol'      Year:'2013'      Volume:'51'      Page:'888'      DOI:'10.3109/13880209.2013.768676'      Title:'Volatile composition and antimicrobial activity of the essential oil of Artemisia absinthium growing in Western Ghats region of North West Karnataka, India'
18.      Journal:'Journal of Chemistry'      Year:'2015'      Volume:''      Page:'804658'      DOI:'10.1155/2015/804658'      Title:'Chemical Composition and Antioxidant and Antimicrobial Activities of Wormwood (Artemisia absinthium L.) Essential Oils and Phenolics'
19.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'87'      DOI:''      Title:'Chemical Composition of the Essential Oil of Artemisia absinthium L. from Cuba'
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
23.      Journal:'J. Essent. Oil Res'      Year:'2000'      Volume:'12'      Page:'333'      DOI:'10.1080/10412905.2000.9699530'      Title:'Essential Oil Composition of Eucalyptus camaldulensis Dehn. from Mozambique'
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
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49.      Journal:'Zahedan J Res Med Sci'      Year:'2013'      Volume:'15'      Page:'8'      DOI:''      Title:'Determining Chemical Composition and Antimicrobial Activity of Feverfew (Tanacetum parthenium L.) Essential Oil on Some Microbial Strains'
50.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'920'      DOI:'10.3109/13880209.2011.556650'      Title:'Chemical composition, antibacterial activity and cytotoxicity of essential oils of Tanacetum parthenium in different developmental stages'
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52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
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61.      Journal:'Talanta'      Year:'2008'      Volume:'76'      Page:'878'      DOI:'10.1016/j.talanta.2008.04.050'      Title:'Application of PLE for the determination of essential oil components from Thymus vulgaris L'
64.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'538'      DOI:'10.1080/0972060X.2014.935044'      Title:'Chemical Composition of the Essential Oil of Thymus vulgaris L. Grown in Iran'
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67.      Journal:'Innovative Food Science and Emerging Technologies'      Year:'2012'      Volume:'14'      Page:'85'      DOI:'10.1016/j.ifset.2012.01.002'      Title:'Comparison of ohmic-assisted hydrodistillation with traditional hydrodistillation for the extraction of essential oils from Thymus vulgaris L'
68.      Journal:'Environmental and Experimental Botany'      Year:'2009'      Volume:'65'      Page:'99'      DOI:'10.1016/j.envexpbot.2008.09.001'      Title:'Elevated atmospheric CO2 decreases oxidative stress and increases essential oil yield in leaves of Thymus vulgaris grown in a mini-FACE system'
69.      Journal:'Journal of Research & Development'      Year:'2011'      Volume:'11'      Page:'83'      DOI:''      Title:'Essential Oil Composition of Thymus Vulgaris L. and their Uses'
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73.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'3034'      DOI:'10.1002/jssc.200900214'      Title:'Static and dynamic superheated water extraction of essential oil components fromThymus vulgaris L'
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77.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'1443'      DOI:''      Title:'Comparative Study of the Essential Oil Chemical Composition of Thymus Kotschyanus Boiss. & Hohen var. kotschyanus from Iran'
78.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2012'      Volume:'2012'      Page:'1'      DOI:'10.1155/2012/728065'      Title:'Essential Oils Composition and Antioxidant Properties of Three Thymus Species'
79.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'310'      DOI:''      Title:'COMPOSITION OF ESSENTIAL OILS OF LEAVES, STEMS, AND ROOTS OF Thymus kotschyanus VAR. pseuderiophorus GROWING WILD IN IRAN'
80.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'117'      DOI:'10.1080/0972060X.2013.764159'      Title:'Essential Oil Compositions of Thymus kotschyanus Boiss. Obtained by Hydrodistillation and Microwave Oven Distillation'
81.      Journal:'Jundishapur J Microbiol'      Year:'2011'      Volume:'4'      Page:'S43'      DOI:''      Title:'Antibacterial activity of Zataria multiflora Boiss essential oil against extended spectrum ? lactamase produced by urinary isolates of Klebsiella pneumonia'
82.      Journal:'Journal of Medicinal Plants'      Year:'2011'      Volume:'10'      Page:'12'      DOI:''      Title:'Application of Satureja hortensis L. and Zataria multiflora Boiss. Essential Oils as Two Natural Antioxidants in Soybean Oil During Microwave Heating'
83.      Journal:'LWT - Food Science and Technology'      Year:'2012'      Volume:'46'      Page:'477'      DOI:'10.1016/j.lwt.2011.11.020'      Title:'Characterization of antioxidant chitosan ?lm incorporated with Zataria multi?ora Boiss essential oil and grape seed extract'
85.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1562'      DOI:'10.1016/j.fct.2010.03.025'      Title:'Chemical composition of essential oils in Zataria multi?ora Boiss. From different parts of Iran and their radical scavenging and antimicrobial activity'
86.      Journal:'Food Chemistry'      Year:'2003'      Volume:'83'      Page:'357'      DOI:'10.1016/S0308-8146(03)00096-7'      Title:'Chemical composition of the essential oil and supercritical CO2 extracts of Zataria multi?ora Boiss'
87.      Journal:'Journal of Food Safety'      Year:'2012'      Volume:''      Page:'1'      DOI:'10.1111/j.1745-4565.2012.00384.x'      Title:'CHEMICAL COMPOSITION, RADICAL SCAVENGING, ANTIBACTERIAL AND ANTIFUNGAL ACTIVITIES OF ZATARIA MULTIFLORA BIOSS ESSENTIAL OIL AND AQUEOUS EXTRACT'
91.      Journal:'Eur. J. Lipid Sci. Technol'      Year:'2008'      Volume:'110'      Page:'448'      DOI:'10.1002/ejlt.200700239'      Title:'Microwave-assisted hydrodistillation of essential oil from Zataria multiflora Boiss'
92.      Journal:'International Journal of Food Science and Technology'      Year:'2011'      Volume:'46'      Page:'2619'      DOI:'10.1111/j.1365-2621.2011.02792.x'      Title:'Ohmic-assisted hydrodistillation of essential oils from Zataria multi?ora Boiss (Shirazi thyme)'
124.      Journal:'Research in Pharmaceutical Sciences'      Year:'2008'      Volume:'3'      Page:'41'      DOI:''      Title:'Composition and antimicrobial activity of oleogumresin of Ferula gumosa Bioss. essential oil using Alamar Blue™'
125.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'124'      DOI:''      Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
128.      Journal:'Food and Chemical Toxicology'      Year:'2013'      Volume:'57'      Page:'126'      DOI:'10.1016/j.fct.2013.03.017'      Title:'Anti-in?ammatory effect of essential oil and its constituents from ?ngered citron (Citrus medica L. var. sarcodactylis) through blocking JNK, ERK and NF-kB signaling pathways in LPS-activated RAW 264.7 cells'
131.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'99'      DOI:'10.1002/jssc.200800404'      Title:'Essential oil composition of Citrusmedica L. Cv. Diamante (Diamante citron) determined after using different extractionmethods'
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
143.      Journal:'Journal of Stored Products Research'      Year:'2012'      Volume:'48'      Page:'97'      DOI:'10.1016/j.jspr.2011.10.003'      Title:'Insecticidal activities of essential oils from leaves of Laurus nobilis L. from Tunisia, Algeria and Morocco, and comparative chemical composition'
144.      Journal:'Tunisian Journal of Plant Protection'      Year:'2011'      Volume:'6'      Page:'29'      DOI:''      Title:'Composition and Repellent Efficacy of Essential Oil from Laurus nobilis against Adults of the Cigarette Beetle Lasioderma serricorne (Coleoptera: Anobiidae)'
151.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'617'      DOI:'10.1080/0972060X.2011.10643980'      Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
156.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'385'      DOI:''      Title:'The Essential Oil Composition of Artemisia vulgaris L. in Iran'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
161.      Journal:'Archives of Applied Science Research'      Year:'2011'      Volume:'3'      Page:'44'      DOI:''      Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
167.      Journal:'Industrial Crops and Products'      Year:'2010'      Volume:'31'      Page:'203'      DOI:'10.1016/j.indcrop.2009.10.003'      Title:'Antioxidant activities and chemical composition of essential oil of Pistacia atlantica from Algeria'
168.      Journal:'European Journal of Experimental Biology'      Year:'2012'      Volume:'2'      Page:'1771'      DOI:''      Title:'Essential oil content and composition of Lippa citriodora as affected by drying method before flowering stages'
178.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'262'      DOI:'10.1080/10412905.2004.9698716'      Title:'Comparative Investigation of the Essential Oils of Achillea talagonica Boiss. and A. millefolium, Chemical Composition and Immunological Studies'
179.      Journal:'Journal of Essential Oil Research'      Year:'1998'      Volume:'10'      Page:'427'      DOI:'10.1080/10412905.1998.9700934'      Title:'Chemical Composition of the Leaf Oil of Achillea millefolium L. Grown in Cuba'
180.      Journal:'Journal of Essential Oil Research'      Year:'1999'      Volume:'11'      Page:'306'      DOI:'10.1080/10412905.1999.9701140'      Title:'Aromatic Plants of Yugoslavia. I. Chemical Composition of Oils of Achillea millefolium L. ssp. pannonica (Scheele) Hayak, A. crithmifolia W. et K., A. serbica Nym. and A. tanacetifolia All'
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199.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'602'      DOI:'10.1080/0972060X.2012.10644094'      Title:'Changes in Essential Oil Composition During Pistacia vera Leaves Development in Sfax Region (Tunisia)'
201.      Journal:'J Sci Food Agric'      Year:'2010'      Volume:'90'      Page:'664'      DOI:'10.1002/jsfa.3865'      Title:'Essential oil yield and composition of Pistacia vera ‘Kerman’ fruits, peduncles and leaves grown in California'
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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