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Alpha-E-Bergamotene
PHCD compound ID : 488
Chemical Names :
Alpha-E-Bergamotene , (E)-alpha-Bergamotene , Alpha-Bergamotene(isomer) , Alpha-bergamotene trans , (Z)-alpha-cis-bergamotene , Alpha-transbergamotene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,5S,6R)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene
Smiles: CC(=CCC[C@]1(C)[C@H]2CC=C([C@@H]1C2)C)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
InChi Key : InChIKey=YMBFCQPIMVLNIU-SOUVJXGZSA-N
PubChem ID : 6429302
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.044310
Hydrogen bond donor count : 0 Electric dipole moment : 0.826
XLogP : 6.104 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.362000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
96.      Journal:'Industrial Crops and Products'      Year:'2011'      Volume:'34'      Page:'1482'      DOI:'10.1016/j.indcrop.2011.05.005'      Title:'Sesquiterpenic composition of the in?orescences of Brazilian chamomile (Matricaria recutita L.): Impact of the agricultural practices'
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'
487.      Journal:'Fitoterapia'      Year:'2010'      Volume:'81'      Page:'413'      DOI:'10.1016/j.?tote.2009.11.010'      Title:'Characterization and antimicrobial activity of essential oils of industrial hemp varieties (Cannabis sativa L.)'
491.      Journal:'J. Nut. Prod'      Year:'1996'      Volume:'59'      Page:'49'      DOI:''      Title:'The Volatile Oil Composition of Fresh and Air-Dried Buds of Cannabis sativa'
735.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'784'      DOI:''      Title:'Chemical composition and antioxidant activity of the essential oil and the methanol extract of Algerian wild carrot Daucus carota L. ssp. carota. (L.) Thell'
736.      Journal:'Fitoterapia'      Year:'2009'      Volume:'80'      Page:'57'      DOI:'10.1016/j.fitote.2008.09.008'      Title:'Chemical characterization and biological activity of essential oils from Daucus carota L. subsp. carota growing wild on theMediterranean coast and on the Atlantic coast'
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