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ScientificNameLabel
4aAlpha-7Alpha-7aBeta-Nepetalactone
PHCD compound ID : 211
Chemical Names :
4aAlpha-7Alpha-7aBeta-Nepetalactone , (4aAlpha,7Alpha,7aBeta)-Nepetalactone , 4a-alpha,7-alpha,7a-beta-Nepetalactone
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: (4aS,7S,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
Smiles: C[C@H]1CC[C@H]2[C@H]1C(=O)OC=C2C
InChi : InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9-/m0/s1
InChi Key : InChIKey=ZDKZHVNKFOXMND-ZQARSLAVSA-N
PubChem ID : 442430
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.373997
Hydrogen bond donor count : 0 Electric dipole moment : 4.514
XLogP : 1.842 VDW volume : 169.110924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.850000
Herb list :
Refrences & Litretures:
  
13.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'283'      DOI:''      Title:'Antibacterial Activity and Composition of the Essential Oil of Nepeta menthoides from Iran'
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
527.      Journal:'International Scholarly Research Network'      Year:'2012'      Volume:''      Page:'591953'      DOI:'10.5402/2012/591953'      Title:'Chemical Composition and Antimicrobial Activities of Essential Oils from Nepeta cataria L. against Common Causes of Food-Borne Infections'
529.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2004'      Volume:'7'      Page:'120'      DOI:'10.1080/0972-060X.2004.10643376'      Title:'Essential oils composition of Nepeta cataria L. and Nepeta crassifolia Boiss. and Buhse from Iran'
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