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ScientificNameLabel
Geijerene
PHCD compound ID : 690
Chemical Names :
Geijerene
Molecular Formula : C12H18
Molecular Weight : 162.140851
More Details :
Names & Synonyms: (3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexene , (3S,4S)-4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexene , (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene , (3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexene
Smiles: C=C[C@]1(C)CCC=C[C@H]1C(=C)C
InChi : InChI=1S/C12H18/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5-6,8,11H,1-2,7,9H2,3-4H3/t11-,12+/m0/s1
InChi Key : InChIKey=BGDQCKOAZKTOFV-NWDGAFQWSA-N
PubChem ID : 10607083
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.376449
Hydrogen bond donor count : 0 Electric dipole moment : 0.652
XLogP : 4.896 VDW volume : 195.842439
Molecular weight : 162.140851 HOMO-LUMO gap : 10.378000
Herb list :
Refrences & Litretures:
  
43.      Journal:'Food Chemistry'      Year:'2006'      Volume:'97'      Page:'719'      DOI:'10.1016/j.foodchem.2005.05.045'      Title:'Screening of the antioxidative and antimicrobial properties of the essential oils of Pimpinella anisetum and Pimpinella ?abellifolia from Turkey'
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
428.      Journal:'World Appl. Sci. J'      Year:'2009'      Volume:'7'      Page:'124'      DOI:''      Title:'Volatile Composition of Ruta graveolens L. of North of Iran'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
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