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ScientificNameLabel
Alpha-Humulene oxide
PHCD compound ID : 866
Chemical Names :
Alpha-Humulene oxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (4Z,7Z)-3,3,7,11-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-/m0/s1
InChi Key : InChIKey=RKQDKXOBRXTSFS-MLQLDRGDSA-N
PubChem ID : 22559443
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.346828
Hydrogen bond donor count : 0 Electric dipole moment : 2.301
XLogP : 4.503 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.382000
Herb list :
Refrences & Litretures:
  
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
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