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ScientificNameLabel
Caryophyllenol II
PHCD compound ID : 771
Chemical Names :
Caryophyllenol II
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (3E)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-3-en-5-ol , (3E)-4,11,11-trimethyl-8-methylene-5-bicyclo[7.2.0]undec-3-enol , (3E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol , (3E)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-3-en-5-ol
Smiles: C=C1CC[C@H](O)C(=CC[C@H]2[C@H]1CC2(C)C)C
InChi : InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3/b11-5+/t12-,13-,14-/m0/s1
InChi Key : InChIKey=DWUYGFWOANEJRE-JOCZZHLOSA-N
PubChem ID : 70566040
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.145559
Hydrogen bond donor count : 1 Electric dipole moment : 1.191
XLogP : 4.014 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.199000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
892.      Journal:'Tropical Journal of Pharmaceutical Research'      Year:'2014'      Volume:'13'      Page:'581'      DOI:'10.4314/tjpr.v13i4.14'      Title:'Effect of Phytohormones on the Composition of Sambucus ebulus Leaf Essential Oil'
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