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ScientificNameLabel
Beta-Cyclocitral
PHCD compound ID : 608
Chemical Names :
Beta-Cyclocitral , beta-cyclocitrol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 2,6,6-trimethylcyclohexene-1-carbaldehyde , 2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
Smiles: O=CC1=C(C)CCCC1(C)C
InChi : InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChi Key : InChIKey=MOQGCGNUWBPGTQ-UHFFFAOYSA-N
PubChem ID : 9895
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.535643
Hydrogen bond donor count : 0 Electric dipole moment : 3.266
XLogP : 2.564 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.077000
Herb list :
 
- Ephedra nebrodensis - ریش بز، ارمک
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Caucasian whortlebery - Vaccinium arctostaphylos - قره قاط، سیله گیله
Clary, Clary sage - Salvia sclarea - مریم گلی
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Fig - Ficus carica - انجیر، شال انجیر
Great mullein, Flannel mullein - Verbascum thapsus - گل ماهور اروپائی
Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر
Lentisk pistache, Mastic tree - Pistacia lentiscus - مصطکی
Nettle, Stinging nettle - Urtica dioica - گزنه دو پایه، گزنه
Pumpkin, Gourd - Cucurbita pepo - کدومسمایی
Quince, Apple quince - Cydonia oblonga - به، شال به، به جنگلی
Red pepper - Capsicum annuum - فلفل قرمز
Turnip - Brassica rapa - شلغم
Wild pansy, Heartsease, Pansy - Viola tricolor L - بنفشه سه‌رنگ
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'
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'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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'
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'
558.      Journal:'Pharmaceutical Biology'      Year:'2002'      Volume:'40'      Page:'448'      DOI:''      Title:'Steam Volatiles of Vaccinium arctostaphylos'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
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'
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
697.      Journal:'Rec. Nat. Prod'      Year:'2009'      Volume:'3'      Page:'90'      DOI:''      Title:'Chemical Composition of the Essential Oil of Pistacia lentiscus L. from Eastern Morocco'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
745.      Journal:'J. Serb. Chem. Soc'      Year:'2011'      Volume:'76'      Page:'857'      DOI:'10.2298/JSC100830074Y'      Title:'Composition and in vitro antimicrobial activity of the essential oil of Dorema ammoniacum D. Don. fruit from Iran'
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
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'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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'
932.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'91'      DOI:'10.1007/s10600-009-9244-y'      Title:'Composition of essential oils of Viola tricolor and V. arvensis from Romania'
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