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ScientificNameLabel
3-Otanone
PHCD compound ID : 100
Chemical Names :
3-octanone , Octan-3-one , 3-Otanone
Molecular Formula : C8H16O1
Molecular Weight : 128.120115
More Details :
Names & Synonyms: octan-3-one , 3-octanone
Smiles: CCCCCC(=O)CC
InChi : InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
InChi Key : InChIKey=RHLVCLIPMVJYKS-UHFFFAOYSA-N
PubChem ID : 246728
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.975960
Hydrogen bond donor count : 0 Electric dipole moment : 2.949
XLogP : 2.398 VDW volume : 153.078104
Molecular weight : 128.120115 HOMO-LUMO gap : 10.972000
Herb list :
 
- Salvia macrosiphon Boiss - مریم‌گلی لوله‌ای، تخم مرو
- Thymus daenensis - آویشن دنائی
Balanga - Lallemantia royleana - بالنگوی شیرازی
Balm - Melissa officinalis - فرنجمشک، وارنگ بو، بارنگ بو
Bay - Laurus nobilis - برگ بو
Clary, Clary sage - Salvia sclarea - مریم گلی
Horsemint, Brookmint - Mentha longifolia - پونه، پودنه
Kotschyam thyme - Thymus kotschyanus - آويشن
Lavender - Lavandula angustifolia - اسطوخودوس
Moldavian balm, Moldavian dragon head - Dracocephalum moldavica - بادرشبی، بادرنجبویه، شاطرامرزه
Mugwort, Mugwood - Artemisia vulgaris - برنجاسف، درمنه معمولی
Nettle, Stinging nettle - Urtica dioica - گزنه دو پایه، گزنه
Origanum, Marjoram - Origanum vulgare - مرزنجوش، مرزنگوش
Pumpkin, Gourd - Cucurbita pepo - کدومسمایی
Rosemary, Moorwort - Rosmarinus officinalis - رومارن، رزماری، رمارن
Saatar, Zataria - Zataria multiflora - آویشن شیرازی، ازکند
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Yellow sweet clover, Yellow melilot - Melilotus officinalis - یونجه زرد، اکلیل الملک
Refrences & Litretures:
  
6.      Journal:'Photochemistry and Photobiology'      Year:'2014'      Volume:'90'      Page:'702'      DOI:'10.1111/php.12229'      Title:'Biochemical Composition and Antioxidant Properties of Lavandula angustifolia Miller Essential Oil are Shielded by Propolis Against UV Radiations'
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
10.      Journal:'Journal of Chromatography A'      Year:'2005'      Volume:'1098'      Page:'14'      DOI:'10.1016/j.chroma.2005.08.054'      Title:'Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill'
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'
60.      Journal:'Food Control'      Year:'2008'      Volume:'19'      Page:'681'      DOI:'10.1016/j.foodcont.2007.07.007'      Title:'Antimicrobial activity and chemical composition of Thymus vulgaris, Thymus zygis and Thymus hyemalis essential oils'
65.      Journal:'Middle-East J. Sci. Res'      Year:'2014'      Volume:'21'      Page:'1670'      DOI:''      Title:'Chemical Composition, Antioxidant and Antitumor Activity of Thymus vulgaris L. Essential Oil'
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
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'
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'
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'
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'
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'
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'
90.      Journal:'Food Control'      Year:'2007'      Volume:'18'      Page:'800'      DOI:'10.1016/j.foodcont.2006.04.002'      Title:'In vitro evaluation of antibacterial and antioxidant activities of the essential oil and methanol extract of endemic Zataria multi?ora Boiss'
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)'
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
117.      Journal:'Rev. Bras. Farmacogn. Braz. J. Pharmacogn'      Year:'2012'      Volume:'22'      Page:'40'      DOI:'10.1590/S0102-695X2011005000186'      Title:'Organic and mineral fertilization and chemical composition of lemon balm (Melissa off cinalis) essential oil'
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
140.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'1'      DOI:''      Title:'Seasonal variations of Laurus nobilis L. leaves volatile oil components in Isfahan, Iran'
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
217.      Journal:'Canadian Journal of Pure and Applied Sciences'      Year:'2013'      Volume:'7'      Page:'2541'      DOI:''      Title:'COMPARISON OF CHEMICAL COMPITION OF ESSENTIAL OIL OF MENTHA LONGIFOLIA L. FROM TWO REGIONS OF IRAN'
355.      Journal:'Iranian Journal of Fisheries Sciences'      Year:'2013'      Volume:'12'      Page:'702'      DOI:''      Title:'Evaluation of the chemical composition and in vitro antimicrobial activity of Rosmarinus officinalis, Zataria multiflora, Anethum graveolens and Eucalyptus globulus against Streptococcus iniae; the cause of zoonotic disease in farmed fish'
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'
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'
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
674.      Journal:'Rev Bras Farmacogn'      Year:'2014'      Volume:'24'      Page:'25'      DOI:'10.1590/0102-695X2014241434'      Title:'Analysis of essential oils of Origanum vulgare from six production areas of China and Pakistan'
675.      Journal:'Food Control'      Year:'2004'      Volume:'15'      Page:'549'      DOI:'10.1016/j.foodcont.2003.08.009'      Title:'Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey'
679.      Journal:'Natural Product Research'      Year:'2012'      Volume:'26'      Page:'140'      DOI:'10.1080/14786419.2010.535150'      Title:'Chemical markers in Origanum vulgare L. from Kumaon Himalayas: a chemosystematic study'
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
778.      Journal:'Industrial Crops and Products'      Year:'2013'      Volume:'49'      Page:'97'      DOI:'10.1016/j.indcrop.2013.04.029'      Title:'Influence of storage conditions on the essential oil composition ofThymus daenensis Celak'
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'
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