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ScientificNameLabel
4aAlpha-7Alpha-7aAlpha-Nepetalactone
PHCD compound ID : 210
Chemical Names :
4aAlpha-7Alpha-7aAlpha-Nepetalactone , (4aAlpha,7Alpha,7aAlpha)-Nepetalactone , 4a-alpha,7-alpha,7a-alpha-Nepetalactone , 4aAlpha,7alpha,7aalpha-nepetalactone
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: (4aS,7S,7aR)-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-NBEYISGCSA-N
PubChem ID : 161367
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.401986
Hydrogen bond donor count : 0 Electric dipole moment : 4.525
XLogP : 1.842 VDW volume : 169.110924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.898000
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'
281.      Journal:'J. Bio. Env. Sci'      Year:'2016'      Volume:'8'      Page:'240'      DOI:''      Title:'Essential oil variation within and between Stachys inflata Benth. and Stachys lavandulifolia Vahl. populations from Iran'
284.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2015'      Volume:'7'      Page:'673'      DOI:''      Title:'Chemical Composition of Essential Oil of Stachys lavandulifolia Vahl. 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)'
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'
574.      Journal:'Euro. J. Exp. Bio'      Year:'2013'      Volume:'3'      Page:'687'      DOI:''      Title:'Extraction of Ziziphora tenuior essential oil using supercritical CO2'
869.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'157'      DOI:'10.1002/ffj.1151'      Title:'Chemical composition of the essential oil of Nepeta racemosa Lam. from Iran'
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