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ScientificNameLabel
isovaleric acid
PHCD compound ID : 670
Chemical Names :
3-methylbutanoic , 3-Methylbutanoic acid , isovaleric acid
Molecular Formula : C5H10O2
Molecular Weight : 102.06808
More Details :
Names & Synonyms: 3-methylbutanoic acid , 3-methylbutyric acid
Smiles: CC(CC(=O)O)C
InChi : InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChi Key : InChIKey=GWYFCOCPABKNJV-UHFFFAOYSA-N
PubChem ID : 10430
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 11.039708
Hydrogen bond donor count : 1 Electric dipole moment : 1.925
XLogP : 1.25 VDW volume : 109.980377
Molecular weight : 102.06808 HOMO-LUMO gap : 11.973000
Herb list :
 
- Iris nigrican - زنبق سیاه چرده
Alfalfa, Lucerne - Medicago sativa - یونجه
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Cacao tree - Theobroma cacao - کاکائو
Corn, Maize - Zea mays - ذرت، بلال
Daneweed, Davewort - Sambucus ebulus - پلم، شوند، آقطی
Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا
Grape, Vine grape - Vitis vinifera - انگور
Hazel, Filbert - Corylus avellana - فندق
Hop - Humulus lupulus - رازک
Saffron, Crocus - Crocus sativus - زعفران
Strawberry - Fragaria vesca - توت فرنگی
Turpentine tree - Pistacia terebinthus - پسته کوهی
Valerian - Valeriana officinalis - سنبل الطیب، والرین، سنبل الطیب اروپایی
Woad - Isatis tinctoria - وسمه
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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.)'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
553.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'5226'      DOI:'10.1021/jf400807w'      Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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'
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
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'
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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