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E-sesqui-lavandulol
ScientificNameLabel
E-sesqui-lavandulol
PHCD compound ID :
764
Chemical Names :
(E)-Sesquilavandulol , E-sesqui-lavandulol , trans-Sesquilavandulol
Molecular Formula :
C15H26O1
Molecular Weight :
222.198365
More Details :
Names & Synonyms:
(4E)-2-isopropenyl-5,9-dimethyl-deca-4,8-dien-1-ol , (4E)-5,9-dimethyl-2-(1-methylethenyl)-1-deca-4,8-dienol , (4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol , (4E)-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-AAWPKVBNSA-N
PubChem ID :
5352145
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.061072
Hydrogen bond donor count :
1
Electric dipole moment :
2.833
XLogP :
4.02
VDW volume :
268.877079
Molecular weight :
222.198365
HOMO-LUMO gap :
10.114000
Herb list :
Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا
Fever few - Tanacetum parthenium - بابونه گاوی، مخلصه
Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر
Refrences & Litretures:
52. Journal:'Journal of Oleo Science' Year:'2010' Volume:'59' Page:'177' DOI:'' Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
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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