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ScientificNameLabel
7–epi-Alpha-selinene
PHCD compound ID : 642
Chemical Names :
(-)-7-epi-alpha-selinene , 7–epi-Alpha-selinene , 7-epi-alpha-selinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (3S,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene , (3S,4aR,8aR)-5,8a-dimethyl-3-(1-methylethenyl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene , (3S,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Smiles: CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C
InChi : InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15+/m0/s1
InChi Key : InChIKey=OZQAPQSEYFAMCY-SOUVJXGZSA-N
PubChem ID : 10726905
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.013778
Hydrogen bond donor count : 0 Electric dipole moment : 0.855
XLogP : 6.145 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.372000
Herb list :
Refrences & Litretures:
  
39.      Journal:'Phytochemistry'      Year:'2004'      Volume:'65'      Page:'2649'      DOI:'10.1016/j.phytochem.2004.08.017'      Title:'Vitis vinifera terpenoid cyclases: functional identi?cation of two sesquiterpene synthase cDNAs encoding (+)-valencene synthase and (-)-germacrene D synthase and expression of mono- and sesquiterpene synthases in grapevine ?owers and berries'
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'
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.)'
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
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'
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'
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'
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