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ScientificNameLabel
Trans-calamenene
PHCD compound ID : 2627
Chemical Names :
Trans-calamenene , Trans-calamennene
Molecular Formula : C15H22
Molecular Weight : 202.172151
More Details :
Names & Synonyms: (1S,4R)-4-isopropyl-1,6-dimethyl-tetralin , (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
Smiles: CC([C@H]1CC[C@@H](c2c1cc(C)cc2)C)C
InChi : InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m0/s1
InChi Key : InChIKey=PGTJIOWQJWHTJJ-QWHCGFSZSA-N
PubChem ID : 6429022
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.849544
Hydrogen bond donor count : 0 Electric dipole moment : 0.585
XLogP : 5.931 VDW volume : 224.473935
Molecular weight : 202.172151 HOMO-LUMO gap : 9.405000
Herb list :
Refrences & Litretures:
  
306.      Journal:'Int. J. Biol. Chem'      Year:'2010'      Volume:'4'      Page:'190'      DOI:'10.3923/ijbc.2010.190.202'      Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
383.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'186'      DOI:'10.1080/10412905.2004'      Title:'Chemical Composition of the Essential Oil of Zingiber officinale Roscoe L. from Cuba'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
774.      Journal:'Asian Journal of Chemistry'      Year:'2011'      Volume:'23'      Page:'1940'      DOI:''      Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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