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ScientificNameLabel
Sesquisabinene
PHCD compound ID : 2458
Chemical Names :
Sesquisabinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,5S)-1-(1,5-dimethylhex-4-enyl)-4-methylene-bicyclo[3.1.0]hexane , (1S,5S)-4-methylene-1-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane , (1S,5S)-1-(6-methylhept-5-en-2-yl)-4-methylidenebicyclo[3.1.0]hexane , (1S,5S)-1-(6-methylhept-5-en-2-yl)-4-methylidene-bicyclo[3.1.0]hexane
Smiles: CC(=CCC[C@@H]([C@]12CCC(=C)[C@@H]2C1)C)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=DYUSFBWNOCHOFP-KKUMJFAQSA-N
PubChem ID : 91750198
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.213333
Hydrogen bond donor count : 0 Electric dipole moment : 1.228
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.337000
Herb list :
Refrences & Litretures:
  
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'
338.      Journal:'Journal of Chemical Ecology'      Year:'2005'      Volume:'31'      Page:'2217'      DOI:'10.1007/s10886-005-6413-8'      Title:'PLANTYPLANT SIGNALING: ETHYLENE SYNERGIZES VOLATILE EMISSION IN Zea mays INDUCED BY EXPOSURE TO (Z )-3-HEXEN-1-OL'
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
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