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ScientificNameLabel
Beta-Calacorene
PHCD compound ID : 305
Chemical Names :
Beta-Calacorene
Molecular Formula : C15H20
Molecular Weight : 200.156501
More Details :
Names & Synonyms: 4-isopropyl-6-methyl-1-methylene-tetralin , 7-methyl-4-methylene-1-propan-2-yl-2,3-dihydro-1H-naphthalene , 7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene
Smiles: CC([C@H]1CCC(=C)c2c1cc(C)cc2)C
InChi : InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3/t13-/m1/s1
InChi Key : InChIKey=KFYISTOZYAKAPV-CYBMUJFWSA-N
PubChem ID : 529621
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.781507
Hydrogen bond donor count : 0 Electric dipole moment : 1.249
XLogP : 5.713 VDW volume : 221.837476
Molecular weight : 200.156501 HOMO-LUMO gap : 8.906000
Herb list :
Refrences & Litretures:
  
17.      Journal:'Pharm Biol'      Year:'2013'      Volume:'51'      Page:'888'      DOI:'10.3109/13880209.2013.768676'      Title:'Volatile composition and antimicrobial activity of the essential oil of Artemisia absinthium growing in Western Ghats region of North West Karnataka, India'
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
26.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'5684'      DOI:'10.3390/molecules18055684'      Title:'Identification of Insecticidal Constituents of the Essential Oil of Acorus calamus Rhizomes against Liposcelis bostrychophila Badonnel'
28.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'390'      DOI:''      Title:'Comparison of Volatile Constituents of Acorus calamus and Asarum europaeum Obtained by Different Techniques'
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'
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'
690.      Journal:'International Journal of Food Microbiology'      Year:'2008'      Volume:'125'      Page:'242'      DOI:'10.1016/j.ijfoodmicro.2008.04.005'      Title:'Tunisian Salvia of?cinalis L. and Schinus molle L. essential oils: Their chemical compositions and their preservative effects against Salmonella inoculated in minced beef meat'
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'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
907.      Journal:'Chem. Biodiversity'      Year:'2017'      Volume:'14'      Page:'e1700096'      DOI:'10.1002/cbdv.201700096'      Title:'Cytotoxic Essential Oils from Eryngium campestre and Eryngium amethystinum (Apiaceae) Growing in Central Italy'
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