Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 35
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
o-Cymene
ScientificNameLabel
o-Cymene
PHCD compound ID :
157
Chemical Names :
o-Cymene , ortho-cymene , Cymene
, O cymene , 1-Methyl-2-(1-methylethyl) benzene , 1-Methyl-2-(1-methylethyl)benzene , Cymene
Molecular Formula :
C10H14
Molecular Weight :
134.10955
More Details :
Names & Synonyms:
1-isopropyl-2-methyl-benzene , 1-methyl-2-propan-2-ylbenzene , 1-methyl-2-propan-2-yl-benzene , o-cymene
Smiles:
CC(c1ccccc1C)C
InChi :
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChi Key :
InChIKey=WWRCMNKATXZARA-UHFFFAOYSA-N
PubChem ID :
10703
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.210010
Hydrogen bond donor count :
0
Electric dipole moment :
0.921
XLogP :
3.834
VDW volume :
150.35047
Molecular weight :
134.10955
HOMO-LUMO gap :
9.648000
Herb list :
- Bunium persicum (Boiss.) B. Fedtsch - زیره کرمانی، زیره ایرانی
- Eryngium campestre - زول، بوقناق
apple - Malus domestica - سیب
Balm - Melissa officinalis - فرنجمشک، وارنگ بو، بارنگ بو
Basil, Sweet basil - Ocimum basilicum - ریحان، تخم شربتی
Bishop's weed, Bullwort - Trachyspermum copticum - زنیان، بادیان رومی، نانخواه
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Bitter orange, Seville orange - Citrus aurantium - نارنج
Blue gum - Eucalyptus globulus - اکالیپتوس
Corn, Maize - Zea mays - ذرت، بلال
Cow-parsnip - Heracleum persicum - گلپر
Cumin - Cuminum cyminum - زیره سبز
Fennel - Foeniculum vulgare - رازیانه
Jerusalem oak - Chenopodium botrys - درمنه ترکی، سلمک اورشلیمی
Kundur luban, Salai - Boswellia serrata - لیبان، کندر
Lavender - Lavandula angustifolia - اسطوخودوس
Lemongrass - Cymbopogon olivieri - پوتار، ناگرد، کاه مکی
Lovage - Levisticum officinale - انجدان
Mount atlas pistache - Pistacia atlantica - بنه، پسته کوهی
Myrtle - Myrtus communis - مورد
Nutmeg - Myristica fragrans - جوز بویا
Origanum, Marjoram - Origanum vulgare - مرزنجوش، مرزنگوش
Peppermint - Mentha piperita - نعنا فلفلی، نعنا
Perovskia - Perovskia abrotanoides - برازمبل
St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Turpentine tree - Pistacia terebinthus - پسته کوهی
Wormwood - Artemisia sieberi - درمنه
Refrences & Litretures:
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'
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'
114. Journal:'J. Mater. Environ. Sci' Year:'2015' Volume:'6' Page:'207' DOI:'' Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
163. Journal:'Research Journal of Pharmacognosy' Year:'2015' Volume:'2' Page:'1' DOI:'' Title:'Anti-inflammatory effect of Pistacia atlantica subsp. kurdica volatile oil and gum on acetic acid-induced acute colitis in rat'
213. Journal:'Indian J Pharm Sci' Year:'2012' Volume:'74' Page:'356' DOI:'10.4103/0250474X.107071' Title:'Biochemical Activities of Iranian Cymbopogon olivieri (Boiss) Bor. Essential Oil'
272. Journal:'CHEMISTRY & BIODIVERSITY' Year:'2014' Volume:'11' Page:'1449' DOI:'' Title:'Chemical Constituents and Activities of the Essential Oil from Myristica fragrans against Cigarette Beetle Lasioderma serricorne'
274. Journal:'Journal of Food Science' Year:'2012' Volume:'77' Page:'C448' DOI:'10.1111/j.1750-3841.2012.02618.x' Title:'Extraction and Separation of Volatile and Fixed Oils from Seeds of Myristica fragrans by Supercritical CO2: Chemical Composition and Cytotoxic Activity on Caco-2 Cancer Cells'
327. Journal:'Journal of Essential Oil Research' Year:'2015' Volume:'27' Page:'140' DOI:'10.1080/10412905.2014.1001526' Title:'Chemical composition, antioxidant and antimicrobial activity of Artemisia sieberi oils from different parts of Iran and France'
336. Journal:'J. Agric. Food Chem' Year:'2007' Volume:'55' Page:'9124' DOI:'10.1021/jf071646e' Title:'Chemical Composition of the Volatile Extract and Antioxidant Activities of the Volatile and Nonvolatile Extracts of Egyptian Corn Silk (Zea mays L.)'
344. Journal:'Food Control' Year:'2014' Volume:'35' Page:'109' DOI:'10.1016/j.foodcont.2013.06.056' Title:'Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)'
362. Journal:'Parasitol Res' Year:'2011' Volume:'108' Page:'481' DOI:'10.1007/s00436-010-2069-6' Title:'Acaricidal effect and chemical composition of essential oils extracted from Cuminum cyminum, Pimenta dioica and Ocimum basilicum against the cattle tick Rhipicephalus (Boophilus) microplus (Acari: Ixodidae)'
371. Journal:'Pharmaceutical Crops' Year:'2011' Volume:'2' Page:'28' DOI:'' Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
391. Journal:'IRAN. J. MICROBIOL' Year:'2011' Volume:'3' Page:'194' DOI:'' Title:'Chemical composition and antimicrobial activity of Satureja hortensis and Trachyspermum copticum essential oil'
404. Journal:'Food and Chemical Toxicology' Year:'2010' Volume:'48' Page:'2186' DOI:'10.1016/j.fct.2010.05.044' Title:'Chemical composition and biological activities of Tunisian Cuminum cyminum L. essential oil: A high effectiveness against Vibrio spp. strains'
407. Journal:'Journal of Chromatography A' Year:'2006' Volume:'1102' Page:'11' DOI:'10.1016/j.chroma.2005.10.032' Title:'Improved solvent-free microwave extraction of essential oil from dried Cuminum cyminum L. and Zanthoxylum bungeanum Maxim'
408. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'1999' Volume:'14' Page:'29' DOI:'10.1002/(SICI)1099-1026(199901/02)14:1<29::AID-FFJ765>3.0.CO;2-G' Title:'Supercritical carbon dioxide extraction of cumin seeds (Cuminum cyminum L.)'
410. Journal:'Food Chemistry' Year:'2009' Volume:'115' Page:'1114' DOI:'10.1016/j.foodchem.2008.12.091' Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
461. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'794' DOI:'10.1080/0972060X.2012.10644122' Title:'Peel Volatile Compounds of Apple (Malus domestica) and Grapefruit (Citrus Paradisi)'
522. Journal:'Maced. J. Chem. Chem. Eng' Year:'2015' Volume:'34' Page:'333' DOI:'' Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
595. Journal:'J. Serb. Chem. Soc' Year:'2010' Volume:'75' Page:'1661' DOI:'10.2298/JSC100524126M' Title:'The composition and antibacterial activity of the essential oil of Levisticum officinale Koch flowers and fruits at different developmental stages'
650. Journal:'Span J Agric Res' Year:'2014' Volume:'12' Page:'1166' DOI:'10.5424/sjar/2014124-6527' Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
665. Journal:'Plant Biosystem' Year:'2016' Volume:'' Page:'' DOI:'10.1080/11263504.2016.1187681' Title:'Chemical composition and bioactivity of Boswellia serrata Roxb. essential oil in relation to geographical variation'
678. Journal:'Molecules' Year:'2013' Volume:'18' Page:'14948' DOI:'10.3390/molecules181214948' Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
698. Journal:'Journal of Essential Oil Research' Year:'2015' Volume:'27' Page:'465' DOI:'10.1080/10412905.2015.1065773' Title:'Chemical composition of essential oils of leaves and flowers from five cultivars of myrtle (Myrtus communis L.)'
723. Journal:'Songklanakarin J. Sci. Technol' Year:'2014' Volume:'36' Page:'83' DOI:'' Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
766. Journal:'Journal of Herbal Drugs' Year:'2015' Volume:'6' Page:'59' DOI:'' Title:'Chemical composition of the volatile fraction of Perovskia abrotanoides and Nepeta glomerulosa growing wild in Iran by different extraction methods'
774. Journal:'Asian Journal of Chemistry' Year:'2011' Volume:'23' Page:'1940' DOI:'' Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
812. Journal:'Journal of Food Composition and Analysis' Year:'2005' Volume:'18' Page:'439' DOI:'10.1016/j.jfca.2004.01.003' Title:'Supercritical ?uid extraction of volatile components from Bunium persicum Boiss. (black cumin) and Mespilus germanica L. (medlar) seeds'
826. Journal:'Jeobp' Year:'2007' Volume:'10' Page:'314' DOI:'' Title:'Essential Oil Composition of Chenopodium botrys L. from Iran'
829. Journal:'Czech Journal of Food Sciences' Year:'2019' Volume:'37' Page:'81' DOI:'10.17221/202/2017-CJFS' Title:'Chemical composition, antimicrobial and insecticidal activities of the tunisian Citrus aurantium essential oils'
847. Journal:'ORIENTAL JOURNAL OF CHEMISTRY' Year:'2016' Volume:'32' Page:'331' DOI:'10.13005/ojc/320137' Title:'A Comparative Study of the Chemical Composition of the Essential oil from Eucalyptus globulus Growing in Dehradun (india) and Around the World'
850. Journal:'Veterinary Parasitology' Year:'2010' Volume:'167' Page:'1' DOI:'10.1016/j.vetpar.2009.09.053' Title:'Chemical composition of Eucalyptus spp. essential oils and their insecticidal effects on Lutzomyia longipalpis'
881. Journal:'Food Chemistry' Year:'2012' Volume:'130' Page:'882' DOI:'10.1016/j.foodchem.2011.07.119' Title:'Neuroprotective potential of some terebinth coffee brands and the unprocessed fruits of Pistacia terebinthus L. and their fatty and essential oil analyses'
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us