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ScientificNameLabel
Selin-11-en-4-ol
PHCD compound ID : 965
Chemical Names :
Selen-11-en-4-alpha-ol , Selin-11-en-4-alpha-ol , Selin-11-en-4-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1R)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol , (1R)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol , (1R)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Smiles: CC(=C)[C@@H]1CC[C@@]2([C@H](C1)[C@](C)(O)CCC2)C
InChi : InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,14-,15-/m1/s1
InChi Key : InChIKey=DPQYOKVMVCQHMY-LXTVHRRPSA-N
PubChem ID : 6428433
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.424359
Hydrogen bond donor count : 1 Electric dipole moment : 2.255
XLogP : 4.724 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.910000
Herb list :
Refrences & Litretures:
  
85.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1562'      DOI:'10.1016/j.fct.2010.03.025'      Title:'Chemical composition of essential oils in Zataria multi?ora Boiss. From different parts of Iran and their radical scavenging and antimicrobial activity'
182.      Journal:'Biochemical Systematics and Ecology'      Year:'2003'      Volume:'31'      Page:'1033'      DOI:'10.1016/S0305-1978(03)00066-8'      Title:'Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania'
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
386.      Journal:'International Journal of Antimicrobial Agents'      Year:'2008'      Volume:'31'      Page:'581'      DOI:'10.1016/j.ijantimicag.2008.02.005'      Title:'Antimicrobial activity of Inula helenium L. essential oil against Gram-positive and Gramnegative bacteria and Candida spp'
742.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1287'      DOI:'10.1080/0972060X.2014.977572'      Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
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