Skip Navigation Links
ScientificNameLabel
Humulene epoxide I
PHCD compound ID : 1617
Chemical Names :
Humulene epoxide I , humulene epoxide III
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (4E,8Z)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene
Smiles: CC1=CCC(C)(C)C=CC[C@@]2([C@@H](CC1)O2)C
InChi : InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+/t13-,15-/m1/s1
InChi Key : InChIKey=QTGAEXCCAPTGLB-FNFCFPHGSA-N
PubChem ID : 5463721
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.158951
Hydrogen bond donor count : 0 Electric dipole moment : 2.389
XLogP : 4.314 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.238000
Herb list :
Refrences & Litretures:
  
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us