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ScientificNameLabel
Sesquilavandulol(Z)
PHCD compound ID : 1072
Chemical Names :
Sesquilavandulol(Z) , (Z)-Sesquilavandulol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (4Z)-2-isopropenyl-5,9-dimethyl-deca-4,8-dien-1-ol , (4Z)-5,9-dimethyl-2-(1-methylethenyl)-1-deca-4,8-dienol , (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol , (4Z)-5,9-dimethyl-2-prop-1-en-2-yl-deca-4,8-dien-1-ol
Smiles: OC[C@H](C(=C)C)C/C=C(\CCC=C(C)C)/C
InChi : InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9-/t15-/m1/s1
InChi Key : InChIKey=JTSPVWIYQLSMER-KQGZCTBQSA-N
PubChem ID : 5352147
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.160159
Hydrogen bond donor count : 1 Electric dipole moment : 2.599
XLogP : 4.02 VDW volume : 268.877079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.193000
Herb list :
Refrences & Litretures:
  
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
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'
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