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ScientificNameLabel
cis-Sesquisabinene hydrate
PHCD compound ID : 1796
Chemical Names :
cis-Sesquisabinene hydrate
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (4R,5S)-1-[(1R)-1,5-dimethylhex-4-enyl]-4-methyl-bicyclo[3.1.0]hexan-4-ol , (4R,5S)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-4-bicyclo[3.1.0]hexanol , (4R,5S)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-4-ol
Smiles: CC(=CCC[C@H]([C@@]12CC[C@@]([C@H]2C1)(C)O)C)C
InChi : InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,14-,15-/m1/s1
InChi Key : InChIKey=IRDFGGRWKUKANK-KBUPBQIOSA-N
PubChem ID : 91753540
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.104310
Hydrogen bond donor count : 1 Electric dipole moment : 1.690
XLogP : 4.683 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.565000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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'
370.      Journal:'Asian Paicfic Journal of Tropical Biomedicine'      Year:'2012'      Volume:'2'      Page:'s695'      DOI:'10.1016/S2221-1691(12)60298-6'      Title:'Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves'
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.)'
373.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'191'      DOI:'10.1002/ffj.1780'      Title:'Comparison of chemical composition and antifungal activity of Curcuma longa L. leaf oils produced by different water distillation techniques'
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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