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ScientificNameLabel
Lavender lactone
PHCD compound ID : 1472
Chemical Names :
Lavender lactone
Molecular Formula : C7H10O2
Molecular Weight : 126.06808
More Details :
Names & Synonyms: 5-methyl-5-vinyl-tetrahydrofuran-2-one , 5-ethenyl-5-methyl-2-oxolanone , 5-ethenyl-5-methyloxolan-2-one , 5-ethenyl-5-methyl-oxolan-2-one
Smiles: C[C@@]1(CCC(=O)O1)C=C
InChi : InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m0/s1
InChi Key : InChIKey=QESPSAHXYXIGBG-ZETCQYMHSA-N
PubChem ID : 102550
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.579059
Hydrogen bond donor count : 0 Electric dipole moment : 4.686
XLogP : 1.047 VDW volume : 129.579428
Molecular weight : 126.06808 HOMO-LUMO gap : 11.298000
Herb list :
Refrences & Litretures:
  
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'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
330.      Journal:'Journal of Stored Products Research'      Year:'2007'      Volume:'43'      Page:'123'      DOI:'10.1016/j.jspr.2006.02.002'      Title:'Fumigant toxicity of essential oil from Artemisia sieberi Besser against three stored-product insects'
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