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ScientificNameLabel
14-Hydroxy-9-epi-(E)Caryophyllene
PHCD compound ID : 1136
Chemical Names :
14-Hydroxy-9-epi-(E)Caryophyllene
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: [(1S,4Z,9S)-11,11-dimethyl-8-methylene-4-bicyclo[7.2.0]undec-4-enyl]methanol , [(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
Smiles: OCC1=CCCC(=C)[C@@H]2[C@H](CC1)C(C2)(C)C
InChi : InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6-/t13-,14+/m1/s1
InChi Key : InChIKey=MGIQTXDHQJGPEZ-QQKWEAIHSA-N
PubChem ID : 91753476
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.346866
Hydrogen bond donor count : 1 Electric dipole moment : 2.090
XLogP : 4.163 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.356000
Herb list :
Refrences & Litretures:
  
116.      Journal:'EXCLI Journal'      Year:'2014'      Volume:'13'      Page:'772'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF THE ESSENTIAL OIL FROM LEAVES OF ALGERIAN MELISSA OFFICINALIS L'
919.      Journal:'EXCLI Journal'      Year:'2014'      Volume:'13'      Page:'772'      DOI:''      Title:'Chemical composition and antimicrobial activity of the essential oil from leaves of Algerian Melissa officinalis L'
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