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ScientificNameLabel
E-Patchenol
PHCD compound ID : 1203
Chemical Names :
E-Patchenol , (E)-patchenol
Molecular Formula : C11H18O1
Molecular Weight : 166.135765
More Details :
Names & Synonyms: (2Z)-2-(3,3-dimethylnorbornan-2-ylidene)ethanol , (2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol
Smiles: OC/C=C\1/[C@H]2CC[C@@H](C1(C)C)C2
InChi : InChI=1S/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5-/t8-,9+/m0/s1
InChi Key : InChIKey=JGDHOHFQJJATNG-BWGNNSGVSA-N
PubChem ID : 5354776
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.563847
Hydrogen bond donor count : 1 Electric dipole moment : 2.572
XLogP : 2.878 VDW volume : 180.25314
Molecular weight : 166.135765 HOMO-LUMO gap : 10.565000
Herb list :
Refrences & Litretures:
  
123.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1321'      DOI:'10.1080/0972060X.2015.1024445'      Title:'Chemical Composition of Essential Oils from Aerial Parts of Ferula gummosa (Apiaceae) in Jajarm Region, Iran Using Traditional Hydrodistillation and Solvent-Free Microwave Extraction Methods: A Comparative Approach'
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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