Skip Navigation Links
ScientificNameLabel
thujopsadiene
PHCD compound ID : 2793
Chemical Names :
thujopsadiene
Molecular Formula : C15H22
Molecular Weight : 202.172151
More Details :
Names & Synonyms: 2,4a,8,8-tetramethyl-1,1a,4,5-tetrahydrocyclopropa[j]naphthalene
Smiles: CC1=CC[C@]2([C@@]3([C@H]1C3)C(C)(C)C=CC2)C
InChi : InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h5-7,12H,8-10H2,1-4H3/t12-,14-,15-/m0/s1
InChi Key : InChIKey=HIRCZOSUMSSTDU-QEJZJMRPSA-N
PubChem ID : 6428961
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.990779
Hydrogen bond donor count : 0 Electric dipole moment : 0.292
XLogP : 5.981 VDW volume : 225.653935
Molecular weight : 202.172151 HOMO-LUMO gap : 10.208000
Herb list :
Refrences & Litretures:
  
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.)'
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us