Skip Navigation Links
ScientificNameLabel
Alpha-Humulene epoxide
PHCD compound ID : 5432
Chemical Names :
Alpha-Humulene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene , (1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
Smiles: CC1=CCC[C@@]2(C)O[C@@H]2CC(C=CC1)(C)C
InChi : InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15-/m1/s1
InChi Key : InChIKey=RKQDKXOBRXTSFS-UOAUIWSESA-N
PubChem ID : 14038843
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.145740
Hydrogen bond donor count : 0 Electric dipole moment : 2.347
XLogP : 4.503 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.308000
Herb list :
Refrences & Litretures:
  
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us