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ScientificNameLabel
Gamma-patchoulene
PHCD compound ID : 3313
Chemical Names :
Gamma-patchoulene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@@]23[C@H]1C[C@H](C3(C)C)CCC2=C
InChi : InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12-,13+,15+/m1/s1
InChi Key : InChIKey=SLTLKLCDQWGISZ-PBOSXPJTSA-N
PubChem ID : 521302
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.459963
Hydrogen bond donor count : 0 Electric dipole moment : 0.771
XLogP : 6.448 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.815000
Herb list :
Refrences & Litretures:
  
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'
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'
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
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