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ScientificNameLabel
Nepetalactone
PHCD compound ID : 212
Chemical Names :
4aBeta-7Alpha-7aBeta-Nepetalactone , Nepetalactone
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 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+/m1/s1
InChi Key : InChIKey=ZDKZHVNKFOXMND-YEPSODPASA-N
PubChem ID : 92770
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.402110
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'
353.      Journal:'Portugaliae Electrochimica Acta'      Year:'2011'      Volume:'29'      Page:'127'      DOI:'10.4152/pea.201102127'      Title:'Fennel (Foeniculum Vulgare) Essential Oil as Green Corrosion Inhibitor of Carbon Steel in Hydrochloric Acid Solution'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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