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ScientificNameLabel
Terpinene-4-acetate
PHCD compound ID : 739
Chemical Names :
Terpinen-4-yl acetate , Terpinen-4-ol-acetate , Terpinene-4-acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) acetate , acetic acid (4-methyl-1-propan-2-yl-1-cyclohex-3-enyl) ester , (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate , (4-methyl-1-propan-2-yl-cyclohex-3-en-1-yl) ethanoate , acetic acid (1-isopropyl-4-methyl-cyclohex-3-en-1-yl) ester
Smiles: CC(=O)O[C@]1(CCC(=CC1)C)C(C)C
InChi : InChI=1S/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3/t12-/m1/s1
InChi Key : InChIKey=BFCBRSFYYLSTAA-GFCCVEGCSA-N
PubChem ID : 20960
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.178731
Hydrogen bond donor count : 0 Electric dipole moment : 1.887
XLogP : 2.687 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.535000
Herb list :
Refrences & Litretures:
  
50.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'920'      DOI:'10.3109/13880209.2011.556650'      Title:'Chemical composition, antibacterial activity and cytotoxicity of essential oils of Tanacetum parthenium in different developmental stages'
150.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'5'      Page:'187'      DOI:''      Title:'Evaluation of the essential oil composition and antioxidant activity of Achillea eriophora as a medicinal plant'
528.      Journal:'Journal of Ethnopharmacology'      Year:'2009'      Volume:'121'      Page:'405'      DOI:'10.1016/j.jep.2008.11.004'      Title:'Chemical composition and mechanisms underlying the spasmolytic and bronchodilatory properties of the essential oil of Nepeta cataria L'
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