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: 33
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
m-Cymen
ScientificNameLabel
m-Cymen
PHCD compound ID :
640
Chemical Names :
Beta-cymene , m-Cymene , m-Cymen , 1-Methyl-3-(1-methylethyl)-benzene
Molecular Formula :
C10H14
Molecular Weight :
134.10955
More Details :
Names & Synonyms:
1-isopropyl-3-methyl-benzene , 1-methyl-3-propan-2-ylbenzene , 1-methyl-3-propan-2-yl-benzene , m-cymene
Smiles:
Cc1cccc(c1)C(C)C
InChi :
InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
InChi Key :
InChIKey=XCYJPXQACVEIOS-UHFFFAOYSA-N
PubChem ID :
10812
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.246518
Hydrogen bond donor count :
0
Electric dipole moment :
0.743
XLogP :
3.834
VDW volume :
150.35047
Molecular weight :
134.10955
HOMO-LUMO gap :
9.692000
Herb list :
Cardamon - Elettaria cardamomum - هل
Chio gum - Pistacia khinjuk - سقز، خنجک، خینجوک
Colt's foot, Horse hoof - Tussilago farfara - پای خر
Cubeb pepper, Cubeb - Piper cubeba - کبابه، کبابه چینی
Forest pepper - Toddalia asiatica Lam - دهن باز دهن بسته
Grape, Vine grape - Vitis vinifera - انگور
Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر
Jerusalem oak - Chenopodium botrys - درمنه ترکی، سلمک اورشلیمی
Lemongrass - Cymbopogon olivieri - پوتار، ناگرد، کاه مکی
Lime - Citrus aurantifolia - لیمو عمانی، لیمو ترش
Origanum, Marjoram - Origanum vulgare - مرزنجوش، مرزنگوش
Sweet wormwood - Artemisia annua - گندواش، درمنه خزری، درمنه یکساله
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Turnip - Brassica rapa - شلغم
Refrences & Litretures:
38. Journal:'J. Agric. Food Chem' Year:'2009' Volume:'57' Page:'3818' DOI:'10.1021/jf803471n' Title:'Evolution of Volatile Compounds during the Development of Cabernet Sauvignon Grapes (Vitis vinifera L.)'
189. Journal:'Biochemical Systematics and Ecology' Year:'2012' Volume:'41' Page:'6' DOI:'10.1016/j.bse.2011.11.003' Title:'Metabolic ?ngerprinting investigation of Tussilago farfara L. by GC–MS and multivariate data analysis'
215. Journal:'DARU Journal of Pharmaceutical Sciences' Year:'2003' Volume:'11' Page:'125' DOI:'' Title:'Chemical Constituents of Efficacy of Cymbopogon Olivieri (Boiss) Bar Essential Oil Against Malaria Vector , Anopheles Stepensi'
371. Journal:'Pharmaceutical Crops' Year:'2011' Volume:'2' Page:'28' DOI:'' Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
438. Journal:'Journal of Medicinal Plants' Year:'2010' Volume:'9' Page:'81' DOI:'' Title:'Antimicrobial Activity of the Leaves of Pistacia khinjuk'
439. Journal:'World Journal of Zoology' Year:'2009' Volume:'4' Page:'291' DOI:'' Title:'The Anthelmintic Effect of Pistacia khinjuk Against Protoscoleces of Echinococcus granulosus'
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'
577. Journal:'J. Essent. Oil Res' Year:'2007' Volume:'19' Page:'14' DOI:'10.1080/10412905.2007.9699217' Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
660. Journal:'Journal of Chromatography A' Year:'2007' Volume:'1150' Page:'50' DOI:'10.1016/j.chroma.2006.08.080' Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
668. Journal:'Food Chemistry' Year:'2009' Volume:'114' Page:'1351' DOI:'10.1016/j.foodchem.2008.11.033' Title:'Apoptosis-mediated proliferation inhibition of human colon cancer cells by volatile principles of Citrus aurantifolia'
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'
677. Journal:'J Sci Food Agric' Year:'2013' Volume:'93' Page:'2707' DOI:'10.1002/jsfa.6089' Title:'Chemical composition and bioactivity of different oregano (Origanum vulgare) extracts and essential oil'
727. Journal:'J Sci Food Agric' Year:'2008' Volume:'88' Page:'280' DOI:'10.1002/jsfa' Title:'Antioxidant and antimicrobial activities of essential oil and various oleoresins of Elettaria cardamomum (seeds and pods)'
743. Journal:'Research Journal of Pharmacognosy' Year:'2014' Volume:'1' Page:'11' DOI:'' Title:'Antioxidant and antibacterial activities of the essential oils and extracts of Dorema ammoniacum roots and aerial parts'
825. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'498' DOI:'10.1080/0972060X.2011.10643608' Title:'Chemical Composition and Antimicrobial Activity of Chenopodium botrys L. Essential Oil'
867. Journal:'Parasitol Res' Year:'2013' Volume:'112' Page:'1197' DOI:'10.1007/s00436-012-3251-9' Title:'Essential oil composition and larvicidal activity of Toddalia asiatica roots against the mosquito Aedes albopictus (Diptera: Culicidae)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us