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ScientificNameLabel
Sesquithujene
PHCD compound ID : 2796
Chemical Names :
Sesquithujene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (5S)-1-[(1S)-1,5-dimethylhex-4-enyl]-4-methyl-bicyclo[3.1.0]hex-3-ene , (5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-3-ene
Smiles: CC(=CCC[C@@H]([C@]12CC=C([C@@H]2C1)C)C)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=UCQHFDKBUHCAFR-KKUMJFAQSA-N
PubChem ID : 53359349
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.123855
Hydrogen bond donor count : 0 Electric dipole moment : 0.340
XLogP : 6.104 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.301000
Herb list :
Refrences & Litretures:
  
337.      Journal:'The Plant Cell'      Year:'2004'      Volume:'16'      Page:'1115'      DOI:'10.1105/tpc.019877'      Title:'The Variability of Sesquiterpenes Emitted from Two Zea mays Cultivars Is Controlled by Allelic Variation of Two Terpene Synthase Genes Encoding Stereoselective Multiple Product Enzymes'
338.      Journal:'Journal of Chemical Ecology'      Year:'2005'      Volume:'31'      Page:'2217'      DOI:'10.1007/s10886-005-6413-8'      Title:'PLANTYPLANT SIGNALING: ETHYLENE SYNERGIZES VOLATILE EMISSION IN Zea mays INDUCED BY EXPOSURE TO (Z )-3-HEXEN-1-OL'
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