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ScientificNameLabel
Delta-Guaiene
PHCD compound ID : 429
Chemical Names :
Alpha-Bulnesene , Delta-Guaiene , Guaia-1(10),11-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (3S,3aS,5R)-5-isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene , (3S,3aS,5R)-3,8-dimethyl-5-(1-methylethenyl)-1,2,3,3a,4,5,6,7-octahydroazulene , (3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Smiles: CC(=C)[C@@H]1CCC(=C2[C@@H](C1)[C@@H](C)CC2)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1
InChi Key : InChIKey=YHAJBLWYOIUHHM-GUTXKFCHSA-N
PubChem ID : 94275
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.845247
Hydrogen bond donor count : 0 Electric dipole moment : 0.921
XLogP : 5.496 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.134000
Herb list :
Refrences & Litretures:
  
26.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'5684'      DOI:'10.3390/molecules18055684'      Title:'Identification of Insecticidal Constituents of the Essential Oil of Acorus calamus Rhizomes against Liposcelis bostrychophila Badonnel'
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)'
363.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'273'      DOI:'10.3390/molecules14010273'      Title:'The Main Chemical Composition and in vitro Antifungal Activity of the Essential Oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth'
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
636.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'55'      DOI:'10.1080/10412905.2012.751555'      Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'
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'
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
864.      Journal:'CHEMISTRY &BIODIVERSITY'      Year:'2015'      Volume:'12'      Page:'1706'      DOI:'10.1002/cbdv.201400439'      Title:'Chemical Composition of Juniperus communis L. Cone Essential Oil and Its Variability among Wild Populations in Kosovo'
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