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ScientificNameLabel
hexenyl benzoate
PHCD compound ID : 629
Chemical Names :
(Z)-3-Hexenyl benzoate , Benzoate(Z)-3-hexen-1-ol , Hex-3-en-1-ol benzoate,(Z)- , (Z)-3-Hexen-1-yl benzoate , Hexenyl benzoate-(3Z) , Cis-3-Hexenyl benzoate , (3Z)-Hexenyl benzoate , hexenyl benzoate , (Z)-3-Hexen-1-ol benzoate
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] benzoate , benzoic acid [(Z)-hex-3-enyl] ester
Smiles: CC/C=C\CCOC(=O)c1ccccc1
InChi : InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
InChi Key : InChIKey=BCOXBEHFBZOJJZ-ARJAWSKDSA-N
PubChem ID : 5367706
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.774558
Hydrogen bond donor count : 0 Electric dipole moment : 2.514
XLogP : 3.275 VDW volume : 214.54596
Molecular weight : 204.11503 HOMO-LUMO gap : 9.245000
Herb list :
 
- Ephedra nebrodensis - ریش بز، ارمک
apple - Malus domestica - سیب
Catnip, Catmint - Nepeta cataria - نعناع گربه‌ای، پونه‌سای گربه‌ای
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Fig - Ficus carica - انجیر، شال انجیر
Golden rod, Wound-weed - Solidago virgaurea - علف طلائی
Mount atlas pistache - Pistacia atlantica - بنه، پسته کوهی
Olive - Olea europaea - زیتون
Quince, Apple quince - Cydonia oblonga - به، شال به، به جنگلی
Red pepper - Capsicum annuum - فلفل قرمز
Small-leaved linden, Tillet tree - Tilia cordata - زیرفون، نمدار برگ‌ریز
St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز
Turpentine tree - Pistacia terebinthus - پسته کوهی
Ziziphora - Ziziphora tenuior - کاکوتی
Refrences & Litretures:
  
36.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'316'      DOI:'10.1080/0972060X.2010.10643827'      Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
166.      Journal:'Flora'      Year:'2011'      Volume:'206'      Page:'397'      DOI:'10.1016/j.?ora.2010.08.002'      Title:'Inter-population variability of leaf morpho-anatomical and terpenoid patterns of Pistacia atlantica Desf. ssp. atlantica growing along an aridity gradient in Algeria'
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
397.      Journal:'International Journal of Pharmacology & Toxicology'      Year:'2015'      Volume:'5'      Page:'42'      DOI:''      Title:'CHEMICAL AND ANTIMICROBIAL PROPERTIES OF ESSENTIAL OILS OF Olea europea L'
462.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2012'      Volume:''      Page:'6497272'      DOI:'10.1155/2012/649727'      Title:'Chemical Composition and In Vitro Cytotoxic Activity of Essential Oil of Leaves of Malus domestica Growing in Western Himalaya (India)'
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
526.      Journal:'Comptes Rendus Biologies'      Year:'2002'      Volume:'325'      Page:'781'      DOI:''      Title:'Composition of the essential oils of Hypericum perforatum L. from southeastern France'
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
714.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'2709'      DOI:''      Title:'Phenols, essential oils and carotenoids of Rosa canina from Tunisia and their antioxidant activities'
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
976.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'46'      DOI:'10.1080/10412905.2006.9699382'      Title:'Volatile Oil-Bearing Flora of Siberia VIII: Essential Oil Composition and Antimicrobial Activity of Wild Solidago virgaurea L. from the Russian Altai'
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